3D Mol Similar

Acetic acid

: Iupac Name：acetic acid; CAS No.: 64-19-7; Molecular Weight：60.05196; Modify Date.: 2023-05-17 11:32; Introduction: Acetic acid is a colourless liquid or crystal with a sour, vinegar-like odour and is one of thesimplest carboxylic acids and is an extensively used chemical reagent. Acetic acid has wideapplication as a laboratory reagent, in the production of cellulose acetate mainly for photographicfilm and polyvinyl acetate for wood glue, synthetic fibres, and fabric materials. Aceticacid has also been of large use as a descaling agent and acidity regulator in food industries. View more+

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1. Names and Identifiers

: 1.1 Name; Acetic acid; 1.2 Synonyms; Acetic acid glacial Arg-Tyr-OH·Ac-Phe-Arg-OEt·Lys-Lys-Lys-OH·Trityl-1,2-diaminoethane·WIJS SOLUTION EINECS 232-236-7 Glacial acetic acid MFCD00011354 Natural Acetic Acid WIJS CHLORIDE WIJS' SOLUTION; View all

1.3 CAS No.: 64-19-7

1.4 CID: 176

1.5 EINECS(EC#): 200-580-7

1.6 Molecular Formula: C2H4O2 (isomer)

1.7 Inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

1.8 InChIkey: QTBSBXVTEAMEQO-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(=O)O

1.10 Isomers Smiles: CC(=O)O

2. Properties

2.1 Density: 1.048

2.1 Melting point: 16-16.5℃

2.1 Boiling point: 117-118℃

2.1 Refractive index: 1.3715

2.1 Flash Point: 40℃

2.2 Precise Quality: 60.02110

2.2 PSA: 37.30000

2.2 logP: 0.09090

2.2 Solubility: alcohol: miscible(lit.)

2.3 Λmax: 205(H2O)nm

2.4 Viscosity: 1.056 mPa-s at 25 deg C

2.5 VaporDensity: 2.07 (vs air)

2.6 Appearance: clear, colourless liquid/pungent odour

2.7 Atmospheric OH Rate Constant: 7.40e-13 cm3/molecule*sec

2.8 Storage: Acetic acid should be used only in areas freeof ignition sources, and quantities greater than 1 liter should be stored in tightlysealed metal containers in areas separate from oxidizers.

2.9 Autoignition Temperature: 961 °F (USCG, 1999)

2.10 Carcinogenicity: Acetic acid is a very weak tumorpromoter in a multistage mouse skin model for chemicalcarcinogenesis, but was very effective in enhancing cancerdevelopment when applied during the progression phase ofthe model. Female SENCAR mice were initiated witha topical application of 7,12-dimethylbenzanthracene and2 weeks later were promoted with 12-O-tetradecanoylphorbol-13-acetate, twice weekly for 16 weeks. Topical treatmentwith acetic acid started 4 weeks later (40 mg glacial aceticacid in 200mL acetone, twice weekly) and continued for30 weeks. Before treatment with acetic acid, each group ofmice had approximately the same number of papillomas atthe exposure site. After 30 weeks of treatment, mice treatedwith acetic acid had a 55% greater conversion of skinpapillomas to carcinomas than vehicle-treated mice. Selectivecytotoxicity to certain cells within the papilloma and acompensatory increase in cell proliferation were consideredthe most probable mechanism.

2.11 Chemical Properties: Acetic acid, CH3COOH, is a colorless, volatile liquid at ambient temperatures. The pure compound, glacial acetic acid, owes its name to its ice-like crystalline appearance at 15.6°C. As generally supplied, acetic acid is a 6 N aqueous solution (about 36%) or a 1 N solution (about 6%). These or other dilutions are used in adding appropriate amounts of acetic acid to foods. Acetic acid is the characteristic acid of vinegar, its concentration ranging from 3.5 to 5.6%. Acetic acid and acetates are present in most plants and animal tissues in small but detectable amounts. They are normal metabolic intermediates, are produced by such bacterial species as Acetobacter and can be synthesized completely from carbon dioxide by such microorganisms as Clostridium thermoaceticum. The rat forms acetate at the rate of 1% of its body weight per day.

2.12 Color/Form: Clear, colorless liquid
Colorless liquid or crystals (Note: Pure compound is a solid below 62 degrees F). Often used in an aqueous solution).

2.13 Corrosivity: Corrosive organic acid

2.14 Decomposition: When heated to decomposition it emits irritating fumes.

2.15 Flammability and Explosibility: Acetic acid is a combustible substance (NFPA rating = 2). Heating can releasevapors that can be ignited. Vapors or gases may travel considerable distances toignition source and "flash back." Acetic acid vapor forms explosive mixtures withair at concentrations of 4 to 16% (by volume). Carbon dioxide or dry chemicalextinguishers should be used for acetic acid fires.

2.16 Heat of Combustion: 874.2 kJ/mol

2.17 Heat of Vaporization: 23.36 at 25 deg C; 23.70 kJ/mol at 117.9 deg C;

2.18 HenrysLawConstant: 1.00e-07 atm-m3/mole

2.19 Ionization Potential: 10.66 eV

2.20 Odor: Pungent

2.21 Odor Threshold: Odor Threshold Range: 0.21 to 1.0 ppm

2.22 PH: Aqueous solution 1.0 molar = 2.4; 0.1 molar = 2.9; 0.01 molar = 3.4

2.23 pKa: 4.74(at 25℃)

2.24 Water Solubility: miscible

2.25 Spectral Properties: MAX ABSORPTION (ALCOHOL): 208 NM (LOG E= 1.5)
SADTLER REF NUMBER: 76 (IR, PRISM; V8 (NMR))
Index of refraction: 1.3720 @ deg C/D
IR: 4819 (Coblentz Society Spectral Collection)
UV: 4-3 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
RAMAN: 407 (Sadtler Research Laboratories Spectral Collection)
MASS: 34542 (NIST/EPA/MSDC Mass Spectral Database 1990 version)
1H NMR: 8 (Varian Associates NMR spectra collection)
13C NMR: 7 (Johnson and Jankowski, Carbon-13 NMR Spectra, John Wiley & Sons, New York)
Intense mass spectral peaks: 43 m/z, 60 m/z

2.26 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

2.27 StorageTemp: Store below +30°C.

2.28 Surface Tension: 27.10 mN/m at 25 deg C

3. Use and Manufacturing

3.1 Agricultural Uses: Herbicide, Fungicide, Microbiocide; Metabolite,Veterinary Medicine: A herbicide used to control grasses, woody plantsand broad-leaf weeds on hard surface and in areas wherecrops are not normally grown; as a veterinary medicine.

3.2 Definition: ChEBI: A simple monocarboxylic acid containing two carbons.

3.3 General Description: A colorless aqueous solution. Smells like vinegar. Density 8.8 lb / gal. Corrosive to metals and tissue.

3.4 Polymerization: A drum contaminated with acetic acid was filled with acetaldehyde. The ensuing exothermic polymerization reaction caused a mild eruption lasting for several hours.

3.5 Potential Exposure: Acetic acid is widely used as a chemical feedstock for the production of vinyl plastics, acetic anhydride, acetone, acetanilide, acetyl chloride, ethyl alcohol, ketene, methyl ethyl ketone, acetate esters, and cellulose acetates. It is also used alone in the dye, rubber, pharmaceutical, food preserving, textile, and laundry industries. It is utilized, too; in the manufacture of Paris green, white lead, tint rinse, photographic chemicals, stain removers, insecticides, and plastics.

3.6 Purification Methods: Usual impurities are traces of acetaldehyde and other oxidisable substances and water. (Glacial acetic acid is very hygroscopic. The presence of 0.1% water lowers its m by 0.2o.) Purify it by adding some acetic anhydride to react with water present, heat it for 1hour to just below boiling in the presence of 2g CrO3 per 100mL and then fractionally distil it [Orton & Bradfield J Chem Soc 960 1924, Orton & Bradfield J Chem Soc 983 1927]. Instead of CrO3, use 2-5% (w/w) of KMnO4, and boil under reflux for 2-6hours. Traces of water have been removed by refluxing with tetraacetyl diborate (prepared by warming 1 part of boric acid with 5 parts (w/w) of acetic anhydride at 60o, cooling, and filtering off, followed by distillation [Eichelberger & La Mer J Am Chem Soc 55 3633 1933]. Refluxing with acetic anhydride in the presence of 0.2g % of 2-naphthalenesulfonic acid as catalyst has also been used [Orton & Bradfield J Chem Soc 983 1927]. Other suitable drying agents include anhydrous CuSO4 and chromium triacetate: P2O5 converts some acetic acid to the anhydride. Azeotropic removal of water by distillation with thiophene-free *benzene or with butyl acetate has been used [Birdwhistell & Griswold J Am Chem Soc 77 873 1955]. An alternative purification uses fractional freezing. [Beilstein 2 H 96, 2 IV 94.] Rapid procedure: Add 5% acetic anhydride, and 2% of CrO3. Reflux and fractionally distil.; View all

3.7 Shipping: UN2789 Acetic acid, glacial or Acetic acid solution, with .80 % acid, by mass, hazard class: 8; labels: 8-Corrosive material, 3-flammable liquid. UN2790 acetic acid solution, not ,50% but not .80% acid, by mass, hazard class: 8; labels: 8-Corrosive material; acetic acid solution, with .10% and ,50%, by mass, hazard class: 8; labels: 8-Corrosive material

3.8 Usage: Acetic acid occurs in vinegar. It is producedin the destructive distillation of wood. Itfinds extensive application in the chemicalindustry. It is used in the manufacture ofcellulose acetate, acetate rayon, and variousacetate and acetyl compounds; as a solventfor gums, oils, and resins; as a food preservative in printing and dyeing; and in organicsynthesis.

3.9 Waste Disposal: Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed

4. Safety and Handling

4.1 Symbol: GHS02;GHS05;

4.1 Hazard Codes: C

4.1 Signal Word: DANGER

4.1 Risk Statements: R10;R35

4.1 Safety Statements: S23;S26;S45

4.1 Exposure Standards and Regulations: Acetic acid used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

4.2 Packing Group: II

4.2 Octanol/Water Partition Coefficient: log Kow = -0.17

4.3 Other Preventative Measures: SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Special precautions: Liquid acetic acid will attack some forms of plastics, rubber, and coatings.
Clothing contaminated with acetic acid should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of acetic acid from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the acetic acid, the person performing the operation should be informed of acetic acid's hazardous properties.
Employees who handle solid or liquid acetic acid or solutions containing acetic acid should wash their hands thoroughly before eating, smoking, or using toilet facilities.
Non-impervious clothing which becomes contaminated with solid or liquid acetic acid or solutions containing 50% or more of acetic acid by weight should be removed immediately and not reworn until the acetic acid is removed from the clothing. Non-impervious clothing which becomes contaminated with solutions containing less than 50% but greater than 10% of acetic acid by weight should be removed promptly ad not reworn until the acetic acid is removed from the clothing.
Where there is any possibility of exposure of an employees' body to solid or liquid acetic acid or solutions containing 50% or more of acetic acid by weight, facilities for quick drenching of the body should be provided within the immediate work area for emergency use.
The worker should immediately wash the skin when it becomes contaminated. />10%/
Work clothing that becomes wet should be immediately removed due to its flammability hazard. />10%/
Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective clothing.
If material not on fire and not involved in fire: Deep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to knock-down vapors. Neutralize spilled material with crushed limestone, soda ash, or lime.; View all

4.4 Hazard Class: 8

4.4 Hazard Declaration: H226; H314

4.4 Cleanup Methods: Environmental considerations: Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Neutralize with caustic soda or soda ash.
Environmental considerations: Water spill: Add dilute caustic soda
Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.
Collect leaking liquid in sealable containers. Cautiously neutralize spilled liquid with sodium carbonate only under the responsibility of an expert. Wash away remainder with plenty of water (extra personal protection: chemical protection suit including self-contained breathing apparatus).
Remove all ignition sources, ventilate area of spill or leak. If in liquid form, for small quantities, absorb on paper towels large quantities can be collected & atomized in suitable combustion chamber, or diluted neutralized & flushed into a sewer. If in the solid form, collect in the most safe & convenient manner for reclamation or allow to melt & collect as above.
Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Use soda ash to neutralize spills. Control runoff and isolate discharged material for proper. disposal.; View all

4.5 DisposalMethods: SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Excess acetic acid and waste material containing this substance should be placed in a covered metal container, clearly labeled, and handled according to your institution's waste disposal guidelines.
The following wastewater treatment technologies have been investigated for acetic acid: Activated carbon.
The following wastewater treatment technologies have been investigated for acetic acid: Reverse osmosis.

4.6 DOT Emergency Guidelines: /GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire or Explosion: Flammable/combustible materials. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Health: May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Public Safety: CALL Emergency Response Telephone Number. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing is recommended for fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Evacuation: Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire: Some of these materials may react violently with water. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Large fires: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Do not get water inside containers. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Spill or Leak: Fully encapsulating, vapor protective clothing should be worn for spills and leaks with no fire. ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb with earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Acetic acid, glacial; Acetic acid, solution, more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number. As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Acetic acid, solution, more than 10% but not more than 80% acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Acetic acid, solution, more than 10% but not more than 80% acid/; View all

4.7 RIDADR: UN 2789

4.7 Fire Fighting Procedures: Use water spray, dry chemical, "alcohol" foam, or carbon dioxide. Use water to keep fire-exposed containers cool.
/When fighting fire/ use self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode.
If material on fire or involved in fire: Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide. Use water spray to knock-down vapors.
Extinguish fire using agent suitable for type of surrounding fire. Material itself does not burn or burns with difficulty. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources. /Corrosive liquid/

4.8 FirePotential: Moderate, when exposed to heat or flame.

4.9 Safety Profile: A human poison by an unspecified route. Moderately toxic by various routes. A severe eye and skin irritant. Can cause burns, lachrymation, and conjunctivitis. Human systemic effects by ingestion: changes in the esophagus, ulceration, or bleeding from the small and large intestines. Human systemic irritant effects and mucous membrane irritant. Experimental reproductive effects. Mutation data reported. A common air contaminant. A flammable liquid. A fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use CO2, dry chemical, alcohol foam, foam and mist. When heated to decomposition it emits irritating fumes. Potentially explosive reaction with 5azidotetrazole, bromine pentafluoride, chromium trioxide, hydrogen peroxide, potassium permanganate, sodium peroxide, and phosphorus trichloride. Potentially violent reactions with acetaldehyde and acetic anhydride. Ignites on contact with potassium tert-butoxide. Incompatible with chromic acid, nitric acid, 2-amino-ethanol, NH4NO3, ClF3, chlorosulfonic acid, (O3 + diallyl methyl carbinol), ethplenediamine, ethylene imine, (HNO3 + acetone), oleum, HClO4, permanganates, P(OCN)3, KOH, NaOH, xylene; View all

4.10 Caution Statement: P210-P260-P280-P303 + P361 + P353-P305 + P351 + P338 + P310-P370 + P378

4.10 Formulations/Preparations: GRADES: USP /United States Pharmacopeia/ (glacial, 99.4 wt % and dilute, 36-37 wt %), cp /chemically pure: a grade designation signifying a minimum of impurities, but not 100% purity/; technical (80; 99.5%); commercial (6, 28, 30, 36, 56, 70, 80 & 99.5%); nf /national formulary/ (diluted; 6.0 g/100 ml).
Reagent grade (glacial)-99.7%, USP grade glacial-99.5%; aq acetic acid-28,36,56,70,80,85 and 90%; lab reagent (aq)-36%
Household vinegar is usually 5% acetic acid.

4.11 Incompatibilities: Acetic acid reacts with alkaline substances.

4.12 WGK Germany: 3

4.12 RTECS: NN1650000

4.12 Protective Equipment and Clothing: Persons working with pure acid or concentrated solution should wear protective clothing, eye and face, hand and arm protection, and respiratory equipment.
500 ppm: Chemical cartridge respirator with an organic vapor cartridge(s) with a full facepiece or gas mask with an organic vapor canister (chin-style or front- or back-mounted canister) or supplied-air respirator with a full facepiece, helmet, or hood, or self-contained breathing apparatus with a full facepiece. 1000 ppm: Type C supplied-air respirator with a full facepiece operated in pressure-demand or other positive pressure mode or with a full facepiece, helmet, or hood operated in continuous-flow mode. Escape: Gas mask with an organic vapor canister (chin-style or front- or back-mounted canister) self-contained breathing apparatus.
Breakthrough times of greater than one hour were reported by (normally) two or more testers for neoprene, nitrile rubber, polyethylene, polyvinyl chloride, natural rubber and Vitron.
Employees should be provided with and required to use impervious clothing, gloves, face shields (eight-inch minimum), and other appropriate protective clothing necessary to prevent any possibility of skin contact with solid or liquid acetic acid or solutions containing 50% or more of acetic acid by weight and to prevent repeated or prolonged skin contact with solutions containing 10% or more but less than 50% of acetic acid by weight.
Employees should be provided with and required to use dust- and splash-proof safety goggles where there is any possibility of solid or liquid acetic acid or solutions containing acetic acid contacting the eyes.
Wear appropriate personal protective clothing to prevent skin contact. />10%/
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possbility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection. />5%/
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.] />50%/
Respirator Recommendations: Up to 50 ppm: (Assigned protection factor = 25) Any supplied-air respirator operated in a continuous-flow mode. Substance causes eye irritation or damage; eye protection needed./(Assigned protection factor = 25) Any powered, air-purifying respirator with organic vapor cartridge(s). Substance causes eye irritation or damage; eye protection needed./(Assigned protection factor = 50) Any chemical cartridge respirator with a full facepiece and organic vapor cartridge(s)/(Assigned protection factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister/(Assigned protection factor = 50) Any self-contained breathing apparatus with a full facepiece/(Assigned protection factor = 50) Any supplied-air respirator with a full facepiece.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: (Assigned protection factor = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode/(Assigned protection factor = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape: (Assigned protection factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister/Any appropriate escape-type, self-contained breathing apparatus.; View all

4.13 Reactivities and Incompatibilities: Incompatibilities: carbonates, hydroxides, many oxides, and phosphates.
Cooling is necessary to prevent possible explosion from contact of potassium permanganate (or the calcium or sodium salts) with acetic acid
Liquid acetic acid will attack some forms of plastics, rubber, and coatings.
An explosion occurred during initial heating up of a large volume of glacial acetic acid being treated with chromium trioxide. This was attributed to violent interaction of solid chromium trioxide and liquid acetic acid on a hot, exposed steam coil, and subsequent initiation of an explosive mixture of acetic acid vapor and air. The risk has been obviated by using a solution of dichromate in sulfuric acid as oxidant, in place of chromium trioxide. The sulfuric acid is essential, as the solid dichromate moist with acetic acid, obtained by evaporating an acetic acid solution to near-dryness, will explode.
Potassium hydroxide residue in a catalyst pot reacted violently when acetic acid was added.
Mixing acetic acid and 2-aminoethanol in a closed container caused the temperature and pressure to increase.
Mixing glacial acetic acid and chlorosulfonic acid in a closed container caused the temperature and pressure to increase.
During the preparation of beta-hydroxy-beta-methyl glutaric acid using 75 g of diallyl methyl carbinol, the material had been ozonized and allowed to stand overnight. Glacial acetic acid had been added and the mixture was being concentrated under vacuum in a desiccator. After 1 1/2 hours the mixture exploded. Previous preparations using 12.6 g were successful.
Mixing acetic acid and ethylene diamine in a closed container caused the temperature and pressure to increase.
Mixing glacial acetic acid and ethyleneimine in a closed container caused the temperature and pressure to increase.
A mixture of ammonium nitrate and acetic acid ignites when warmed, especially if concentrated.
In reactions between bromine pentafluoride and acetic acid, fire and explosions are likely.
The reaction between chlorine trifluoride and acetic acid is very violent, sometimes explosive.
Acetic anhydride was gradually being titrated into a mixture of chromic anhydride and acetic acid in a 20-gallon, glass-lined tank. After 1 1/2 hours of this procedure, the contents of the reactor exploded.
Mixing glacial acetic acid and oleum in a closed container caused the temperature and pressure to increase.
Explosions involving these materials /perchloric acid and acetic acid/ have occurred in electrolytic polishing baths. The violence in some cases approached that of a true high explosive.
Phosphorus isocyanate and acetic acid react violently.
Several laboratory explosions have occurred using this reaction /phosphorus trichloride and acetic acid/ to form acetyl chloride. Poor heat control probably caused formation of phosphine.
Ignition occurs when potassium t-butoxide reacts with acetic acid.
During the production of terephthalic acid, n-xylene is oxidized in the presence of acetic acid. During these processes, detonating mixtures may be produced. Addition of a small amount of water may largely eliminate the risk of explosion.
Mixing sodium hydroxide and glacial acetic acid in a closed container caused the temperature and pressure to increase.
Mixtures of /acetic acid, acetic anhydride & perchloric acid/ have varying degrees of sensitivity to shock. Vapors above the heated mixtures are flammable.
Erroneous addition of aqueous acetic acid into a tank of acetic anhydride caused a violent exothermic hydrolysis.
Strong oxidizers (especially chromic acid, sodium peroxide & nitric acid), strong caustics [Note: Corrosive to metals].; View all

4.14 Skin, Eye, and Respiratory Irritations: Severe burns to eyes and skin may occur. Vapors strongly irritating to eyes and respiratory tract.
The vapor of acetic acid is irritating to the eyes and nose, causing lacrimation and hyperemia.
Irritating concn: 25 mg/cu m.
. Eye irritation has been noted at a concentration below 10 ppm.

4.15 Safety: Hazard Codes:C,Xi
Risk Statements: 34-42-35-10-36/38
R34:Causes burns.
R42:May cause sensitization by inhalation.
R35:Causes severe burns.
R10:Flammable.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36/37/39-45-23-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 1792 8/PG 2
WGK Germany: 3
RTECS: NN1650000
F: 1-8-10
HazardClass: 8
PackingGroup: II

4.16 Specification: Acetic acid (CAS NO.64-19-7), its Synonyms are Acetic acid 0.25% in plastic container ; Acetic acid, glacial ; Aci-Jel ; Acide acetique ; Ethanoic acid ; Ethanoic acid monomer ; Ethylic acid.

4.17 Toxicity: ORL-RAT LD50 3310 mg kg-1 , IVN-MUS LD50 525 mg kg-1

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin corrosion, Category 1A

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H226 Flammable liquid and vapour H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

7. Synthesis Route

64-19-7Total: 1432 Synthesis Route

67-56-1 382 Suppliers

79-20-9 162 Suppliers

64-19-7 137 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 55, # 14 p. 4284 - 4289
Yield: ~4%

96-14-0 34 Suppliers

77-74-7 29 Suppliers

64-19-7 137 Suppliers

Literatures:
Bulletin of the Chemical Society of Japan, , vol. 71, # 5 p. 1237 - 1240
Yield: ~12%

75-28-5 76 Suppliers

78-85-3 40 Suppliers

64-19-7 137 Suppliers

Literatures:
US2008/177106 A1, ; Page/Page column 6-7 ;
Yield: ~0%

View all

8. Other Information

8.0 Usage: Good polar protic solvent, in its ester form it acts as a solvent for inks paints and coatings. Used in laboratory as a solvent for recrystallization, manufacture of camphor, cellulose acetate, polyvinyl acetate. It involves in Wagner-Meerwein rearrangement. Used for preparation of mono-lithium salt of 5-sulfoisophthalic acid.

8.1 Usage: Acetic acid is used as a solvent for purification and production of many chemical compounds eg., vinyl acetate monomer. It is a significant chemical reagent and is mainly used in the production of cellulose acetate for photographic film, polyvinyl acetate for wood glue, synthetic fibers and fabrics. It is used as a descaling agent in households. As a food additive, it finds application as a condiment, in the pickling of vegetables and other foods and is also an acidity regulator. In analytical chemistry, for the estimation of weakly alkaline substances such as organic amides, glacial acetic acid is used. Acetic acid is used as antimicrobial preservative or acidulates in a variety of food products.

8.2 Usage: Good polar protic solvent, in its ester form it act as a solvent for inks paints and coatings. Used in laboratory as a solvent for recrystallization, manufacture of camphor, cellulose acetate, polyvinyl acetate. It involves in Wagner-Meerwein rearrangement. Used for preparation of mono-lithium salt of 5-sulfoisophthalic acid.

8.3 Usage: It is used in the production of cellulose acetate for photographic film, polyvinyl acetate for wood glue, synthetic fibers and fabrics. It is used as table vinegar, as preservative and as intermediate in the chemical industry. It is useful for the extraction of glazed ceramic.

8.4 Merck: 14,55

8.5 BRN: 506007

8.6 Description: Acetic acid is a colourless liquid or crystal with a sour, vinegar-like odour and is one of the simplest carboxylic acids and is an extensively used chemical reagent. Acetic acid has wide application as a laboratory reagent, in the production of cellulose acetate mainly for photographic film and polyvinyl acetate for wood glue, synthetic fibres, and fabric materials. Acetic acid has also been of large use as a descaling agent and acidity regulator in food industries.

8.7 Chemical Properties: Acetic acid, CH3COOH, is a colorless, volatile liquid at ambient temperatures. The pure compound, glacial acetic acid, owes its name to its ice-like crystalline appearance at 15.6°C. As generally supplied, acetic acid is a 6 N aqueous solution (about 36%) or a 1 N solution (about 6%). These or other dilutions are used in adding appropriate amounts of acetic acid to foods. Acetic acid is the characteristic acid of vinegar, its concentration ranging from 3.5 to 5.6%. Acetic acid and acetates are present in most plants and animal tissues in small but detectable amounts. They are normal metabolic intermediates, are produced by such bacterial species as Acetobacter and can be synthesized completely from carbon dioxide by such microorganisms as Clostridium thermoaceticum. The rat forms acetate at the rate of 1% of its body weight per day.

As a colorless liquid with a strong, pungent, characteristic vinegar odor, it is useful in butter, cheese, grape and fruit flavors. Very little pure acetic acid as such is used in foods, although it is classified by FDA as a GRAS material. Consequently, it may be employed in products that are not covered by Definitions and Standards of Identity. Acetic acid is the principal component of vinegars and pyroligneous acid. In the form of vinegar, more than 27 million lb were added to food in 1986, with approximately equal amounts used as acidulants and flavoring agents. In fact, acetic acid (as vinegar) was one of the earliest flavoring agents. Vinegars are used extensively in preparing salad dressing and mayonnaise, sour and sweet pickles and numerous sauces and catsups. They are also used in the curing of meat and in the canning of certain vegetables. In the manufacture of mayonnaise, the addition of a portion of acetic acid (vinegar) to the salt- or sugar-yolk reduces the heat resistance of Salmonella. Water binding compositions of sausages often include acetic acid or its sodium salt, while calcium acetate is used to preserve the texture of sliced, canned vegetables.; View all

8.8 Physical properties: Acetic acid is a weak carboxylic acid with a pungent odor that exists as a liquid at room temperature. It was probably the first acid to be produced in large quantities. The name acetic comes from acetum, which is the Latin word for “sour” and relates to the fact that acetic acid is responsible for the bitter taste of fermented juices.

8.9 Occurrence: Reported found in vinegar, bergamot, cornmint oil, bitter orange oil, lemon petitgrain, various dairy products

8.10 History: Vinegar is a dilute aqueous solution of acetic acid. The use of vinegar is well documented in ancient history, dating back at least 10,000 years. Egyptians used vinegar as an antibiotic and made apple vinegar. Babylonians produced vinegar from wine for use in medicines and as a preservative as early as 5000 b.c.e. Hippocrates (ca. 460–377 b.c.e.), known as the “father of medicine,” used vinegar as an antiseptic and in remedies for numerous conditions including fever, constipation, ulcers, and pleurisy. Oxymel, which was an ancient remedy for coughs, was made by mixing honey and vinegar. A story recorded by the Roman writer Pliny the Elder (ca. 23–79 c.e.) describes how Cleopatra, in an attempt to stage the most expensive meal ever, dissolved pearls from an earring in vinegar wine and drank the solution to win a wager.

8.11 Uses: Acetic acid occurs in vinegar. It is producedin the destructive distillation of wood. Itfinds extensive application in the chemicalindustry. It is used in the manufacture ofcellulose acetate, acetate rayon, and variousacetate and acetyl compounds; as a solventfor gums, oils, and resins; as a food preservative in printing and dyeing; and in organicsynthesis.

8.12 Uses: Acetic acid is an important industrial chemical. The reaction of acetic acid with hydroxyl containing compounds, especially alcohols, results in the formation of acetate esters. The largest use of acetic acid is in the production of vinyl acetate . Vinyl acetate can be produced through the reaction of acetylene and acetic acid. It is also produced from ethylene and acetic acid. Vinyl acetate is polymerized into polyvinyl acetate (PVA), which is used in the production of fibers, films, adhesives, and latex paints.
Cellulose acetate, which is used in textiles and photographic film, is produced by reacting cellulose with acetic acid and acetic anhydride in the presence of sulfuric acid. Other esters of acetic acid, such as ethyl acetate and propyl acetate, are used in a variety of applications.
Acetic acid is used to produce the plastic polyethylene terephthalate (PET) . Acetic acid is used to produce pharmaceuticals.

8.13 Uses: Glacial Acetic Acid is an acidulant that is a clear, colorless liquid which has an acid taste when diluted with water. It is 99.5% or higher in purity and crystallizes at 17°c. It is used in salad dressings in a diluted form to provide the required acetic acid. It is used as a preservative, acidulant, and flavoring agent. It is also termed acetic acid, glacial.

8.14 Uses: Acetic acid is used as table vinegar, as preservative and as an intermediate in the chemical industry, e.g. acetate fibers, acetates, acetonitrile, pharmaceuticals, fragrances, softening agents, dyes (indigo) etc. Product Data Sheet

8.15 Uses: It is used in aqueous and non-aqueous acid-base titrations.

8.16 Uses: manufacture of various acetates, acetyl compounds, cellulose acetate, acetate rayon, plastics and rubber in tanning; as laundry sour; printing calico and dyeing silk; as acidulant and preservative in foods; solvent for gums, resins, volatile oils and many other substances. Widely used in commercial organic syntheses. Pharmaceutic aid (acidifier).

8.17 Definition: ChEBI: A simple monocarboxylic acid containing two carbons.

8.18 Production Methods: Alchemists used distillation to concentrate acetic acid to high purities. Pure acetic acid isoften called glacial acetic acid because it freezes slightly below room temperature at 16.7°C(62°F). When bottles of pure acetic acid froze in cold laboratories, snowlike crystals formedon the bottles; thus the term glacial became associated with pure acetic acid. Acetic acidand vinegar were prepared naturally until the 19th century. In 1845, the German ChemistHermann Kolbe (1818–1884) successfully synthesized acetic acid from carbon disulfide (CS₂). Kolbe’s work helped to establish the field of organic synthesis and dispelled the idea of vitalism. Vitalism was the principle that a vital force associated with life was responsible for all organic substances.
Acetic acid is used in numerous industrial chemical preparations and the large-scale productionof acetic acid takes place through several processes. The main method of preparation ismethanol carbonylation. In this process, methanol reacts with carbon monoxide to give aceticacid: CH₃OH_(l) + CO_(g) → CH₃COOH_(aq). Because the reaction requires high pressures (200atmospheres), this method was not used until the 1960s, when the development of specialcatalysts allowed the reaction to proceed at lower pressures. A methanol carbonylation proceduredeveloped by Monsanto bears the company’s name. The second most common methodto synthesize acetic acid is by the catalytic oxidation of acetaldehyde: 2 CH₃CHO_(l) + O_2(g) →2 CH₃COOH_(aq). Butane may also be oxidized to acetic acid according to the reaction: 2 C₄H_10(l) +5O_2(g) → 4 CH₃COOH_(aq) + 2H₂O_(l). This reaction was a major source of acetic acid beforethe Monsanto process. It is carried out at a temperature of approximately 150°C and 50 atmospheres pressure.; View all

8.19 Brand name: Vosol (Carter-Wallace).

8.20 Aroma threshold values: Aroma characteristics at 1.0%: sour pungent, cider vinegar, slightly malty with a brown nuance.

8.21 Taste threshold values: Taste characteristics at 15 ppm: sour, acidic tangy.

8.22 General Description: A colorless aqueous solution. Smells like vinegar. Density 8.8 lb / gal. Corrosive to metals and tissue.

8.23 Air & Water Reactions: Dilution with water releases some heat.

8.24 Reactivity Profile: ACETIC ACID, [AQUEOUS SOLUTION] reacts exothermically with chemical bases. Subject to oxidation (with heating) by strong oxidizing agents. Dissolution in water moderates the chemical reactivity of acetic acid, A 5% solution of acetic acid is ordinary vinegar. Acetic acid forms explosive mixtures with p-xylene and air (Shraer, B.I. 1970. Khim. Prom. 46(10):747-750.).

8.25 Hazard: Corrosive; exposure of small amounts can severely erode the lining of the gastrointestinal tract; may cause vomiting, diarrhea, bloody feces and urine; cardiovascular failure and death.

8.26 Health Hazard: Glacial acetic acid is a highly corrosive liquid. Contact with the eyes can produce mild to moderate irritation in humans. Contact with the skin may produce burns. Ingestion of this acid may cause corrosion of the mouth and gastrointestinal tract. The acute toxic effects are vomiting, diarrhea, ulceration, or bleeding from intestines and circulatory collapse. Death may occur from a high dose (20–30 mL), and toxic effects in humans may be felt from ingestion of 0.1–0.2 mL. An oral LD50 value in rats is 3530 mg/kg (Smyth 1956).
Glacial acetic acid is toxic to humans andanimals by inhalation and skin contact. Inhumans, exposure to 1000 ppm for a fewminutes may cause eye and respiratory tractirritation. Rabbits died from 4-hour exposureto a concentration of 16,000 ppm in air.

8.27 Flammability and Explosibility: Acetic acid is a combustible substance (NFPA rating = 2). Heating can release vapors that can be ignited. Vapors or gases may travel considerable distances to ignition source and "flash back." Acetic acid vapor forms explosive mixtures with air at concentrations of 4 to 16% (by volume). Carbon dioxide or dry chemical extinguishers should be used for acetic acid fires.

8.28 Pharmaceutical Applications: Glacial and diluted acetic acid solutions are widely used as acidifying agents in a variety of pharmaceutical formulations and food preparations. Acetic acid is used in pharmaceutical products as a buffer system when combined with an acetate salt such as sodium acetate. Acetic acid is also claimed to have some antibacterial and antifungal properties.

8.29 Agricultural Uses: Herbicide, Fungicide, Microbiocide; Metabolite, Veterinary Medicine: A herbicide used to control grasses, woody plants and broad-leaf weeds on hard surface and in areas where crops are not normally grown; as a veterinary medicine.

8.30 Trade name: ACETUM?; ACI-JEL?; ECOCLEAR?; NATURAL WEED SPRAY? No. One; VOSOL?

8.31 Safety Profile: A human poison by an unspecified route. Moderately toxic by various routes. A severe eye and skin irritant. Can cause burns, lachrymation, and conjunctivitis. Human systemic effects by ingestion: changes in the esophagus, ulceration, or bleeding from the small and large intestines. Human systemic irritant effects and mucous membrane irritant. Experimental reproductive effects. Mutation data reported. A common air contaminant. A flammable liquid. A fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use CO2, dry chemical, alcohol foam, foam and mist. When heated to decomposition it emits irritating fumes. Potentially explosive reaction with 5azidotetrazole, bromine pentafluoride, chromium trioxide, hydrogen peroxide, potassium permanganate, sodium peroxide, and phosphorus trichloride. Potentially violent reactions with acetaldehyde and acetic anhydride. Ignites on contact with potassium tert-butoxide. Incompatible with chromic acid, nitric acid, 2-amino-ethanol, NH4NO3, ClF3, chlorosulfonic acid, (O3 + diallyl methyl carbinol), ethplenediamine, ethylene imine, (HNO3 + acetone), oleum, HClO4, permanganates, P(OCN)3, KOH, NaOH, xylene; View all

8.32 Safety: Acetic acid is widely used in pharmaceutical applications primarily to adjust the pH of formulations and is thus generally regarded as relatively nontoxic and nonirritant. However, glacial acetic acid or solutions containing over 50% w/w acetic acid in water or organic solvents are considered corrosive and can cause damage to skin, eyes, nose, and mouth. If swallowed glacial acetic acid causes severe gastric irritation similar to that caused by hydrochloric acid.
Dilute acetic acid solutions containing up to 10% w/w of acetic acid have been used topically following jellyfish stings.Dilute acetic acid solutions containing up to 5% w/w of acetic acid have also been applied topically to treat wounds and burns infected with Pseudomonas aeruginosa.
The lowest lethal oral dose of glacial acetic acid in humans is reported to be 1470 mg/kg.The lowest lethal concentration on inhalation in humans is reported to be 816 ppm.Humans, are, however, estimated to consume approximately 1 g/day of acetic acid from the diet.
LD₅₀ (mouse, IV): 0.525 g/kg
LD₅₀ (rabbit, skin): 1.06 g/kg
LD₅₀ (rat, oral): 3.31 g/kg; View all

8.33 Chemical Synthesis: From the destructive distillation of wood from acetylene and water and from acetaldehyde by subsequent oxidation with air. Pure acetic acid is produced commercially by a number of different processes. As dilute solutions, it is obtained from alcohol by the “Quick-Vinegar Process.” Smaller quantities are obtained from the pyroligneous acid liquors acquired in the destructive distillation of hard wood. It is manufactured synthetically in high yields by the oxidation of acetaldehyde and of butane, and as the reaction product of methanol and carbon monoxide
Vinegars are produced from cider, grapes (or wine), sucrose, glucose or malt by successive alcoholic and acetous fermentations. In the United States, the use of the term “vinegar,” without qualifying adjectives, implies only cider vinegar. Although a 4 to 8% solution of pure acetic acid would have the same taste characteristics as cider vinegar, it could not qualify as a vinegar, since it would lack other readily detectable components characteristic of cider vinegar. In Great Britain, malt vinegar is specified. On the European continent, wine vinegar is the most common variety; View all

8.34 Potential Exposure: Acetic acid is widely used as a chemical feedstock for the production of vinyl plastics, acetic anhydride, acetone, acetanilide, acetyl chloride, ethyl alcohol, ketene, methyl ethyl ketone, acetate esters, and cellulose acetates. It is also used alone in the dye, rubber, pharmaceutical, food preserving, textile, and laundry industries. It is utilized, too; in the manufacture of Paris green, white lead, tint rinse, photographic chemicals, stain removers, insecticides, and plastics.

8.35 Carcinogenicity: Acetic acid is a very weak tumor promoter in a multistage mouse skin model for chemical carcinogenesis, but was very effective in enhancing cancer development when applied during the progression phase of the model. Female SENCAR mice were initiated with a topical application of 7,12-dimethylbenzanthracene and 2 weeks later were promoted with 12-O-tetradecanoylphorbol- 13-acetate, twice weekly for 16 weeks. Topical treatment with acetic acid started 4 weeks later (40 mg glacial acetic acid in 200mL acetone, twice weekly) and continued for 30 weeks. Before treatment with acetic acid, each group of mice had approximately the same number of papillomas at the exposure site. After 30 weeks of treatment, mice treated with acetic acid had a 55% greater conversion of skin papillomas to carcinomas than vehicle-treated mice. Selective cytotoxicity to certain cells within the papilloma and a compensatory increase in cell proliferation were considered the most probable mechanism.

8.36 Source: Present in domestic sewage effluent at concentrations ranging from 2.5 to 36 mg/L (quoted, Verschueren, 1983). A liquid swine manure sample collected from a waste storage basin contained acetic acid at a concentration of 639.9 mg/L (Zahn et al., 1997). Acetic acid was identified as a constituent in a variety of composted organic wastes. Detectable concentrations were reported in 18 of 21 composts extracted with water. Concentrations ranged from 0.14 mmol/kg in a wood shaving + poultry cattle manure to 18.97 mmol/kg in fresh dairy manure. The overall average concentration was 4.45 mmol/kg (Baziramakenga and Simard, 1998).
Acetic acid was formed when acetaldehyde in the presence of oxygen was subjected to continuous irradiation (λ >2200 ?) at room temperature (Johnston and Heicklen, 1964).
Acetic acid occurs naturally in many plant species including Merrill flowers (Telosma cordata), in which it was detected at a concentration of 2,610 ppm (Furukawa et al., 1993). In addition, acetic acid was detected in cacao seeds (1,520 to 7,100 ppm), celery, blackwood, blueberry juice (0.7 ppm), pineapples, licorice roots (2 ppm), grapes (1,500 to 2,000 ppm), onion bulbs, oats, horse chestnuts, coriander, ginseng, hot peppers, linseed (3,105 to 3,853 ppm), ambrette, and chocolate vines (Duke, 1992).
Identified as an oxidative degradation product in the headspace of a used engine oil (10–30W) after 4,080 miles (Levermore et al., 2001).; View all

8.37 Environmental fate: Biological. Near Wilmington, NC, organic wastes containing acetic acid (representing 52.6% of total dissolved organic carbon) were injected into an aquifer containing saline water to a depth of approximately 1,000 feet below ground surface. The generation of gaseous components (hydrogen, nitrogen, hydrogen sulfide, carbon dioxide, and methane) suggests acetic acid and possibly other waste constituents, were anaerobically degraded by microorganisms (Leenheer et al., 1976).
Plant. Based on data collected during a 2-h fumigation period, EC50 values for alfalfa, soybean, wheat, tobacco, and corn were 7.8, 20.1, 23.3, 41.2, and 50.1 mg/m³, respectively (Thompson et al., 1979).
Photolytic. A photooxidation half-life of 26.7 d was based on an experimentally determined rate constant of 6 x 10^-13 cm³/molecule?sec at 25 °C for the vapor-phase reaction of acetic acid with OH radicals in air (Atkinson, 1985). In an aqueous solution, the rate constant for the reaction of acetic acid with OH radicals was determined to be 2.70 x 10^-17 cm³/molecule?sec (Dagaut et al., 1988).
Chemical/Physical. Ozonolysis of acetic acid in distilled water at 25 °C yielded glyoxylic acid which oxidized readily to oxalic acid before undergoing additional oxidation producing carbon dioxide. Ozonolysis accompanied by UV irradiation enhanced the removal of acetic acid (Kuo et al., 1977).; View all

8.38 storage: Acetic acid should be used only in areas free of ignition sources, and quantities greater than 1 liter should be stored in tightly sealed metal containers in areas separate from oxidizers.

8.39 Shipping: UN2789 Acetic acid, glacial or Acetic acid solution, with .80 % acid, by mass, hazard class: 8; labels: 8-Corrosive material, 3-flammable liquid. UN2790 acetic acid solution, not ,50% but not .80% acid, by mass, hazard class: 8; labels: 8-Corrosive material; acetic acid solution, with .10% and ,50%, by mass, hazard class: 8; labels: 8-Corrosive material

8.40 Purification Methods: Usual impurities are traces of acetaldehyde and other oxidisable substances and water. (Glacial acetic acid is very hygroscopic. The presence of 0.1% water lowers its m by 0.2o.) Purify it by adding some acetic anhydride to react with water present, heat it for 1hour to just below boiling in the presence of 2g CrO3 per 100mL and then fractionally distil it [Orton & Bradfield J Chem Soc 960 1924, Orton & Bradfield J Chem Soc 983 1927]. Instead of CrO3, use 2-5% (w/w) of KMnO4, and boil under reflux for 2-6hours. Traces of water have been removed by refluxing with tetraacetyl diborate (prepared by warming 1 part of boric acid with 5 parts (w/w) of acetic anhydride at 60o, cooling, and filtering off, followed by distillation [Eichelberger & La Mer J Am Chem Soc 55 3633 1933]. Refluxing with acetic anhydride in the presence of 0.2g % of 2-naphthalenesulfonic acid as catalyst has also been used [Orton & Bradfield J Chem Soc 983 1927]. Other suitable drying agents include anhydrous CuSO4 and chromium triacetate: P2O5 converts some acetic acid to the anhydride. Azeotropic removal of water by distillation with thiophene-free *benzene or with butyl acetate has been used [Birdwhistell & Griswold J Am Chem Soc 77 873 1955]. An alternative purification uses fractional freezing. [Beilstein 2 H 96, 2 IV 94.] Rapid procedure: Add 5% acetic anhydride, and 2% of CrO3. Reflux and fractionally distil.; View all

8.41 Toxicity evaluation: Acetic acid is present throughout nature as a normal metabolite of both plants and animals. Acetic acid may also be released to the environment in a variety of waste effuents, in emissions from combustion processes, and in exhaust from gasoline and diesel engines. If released to air, a vapor pressure of 15.7 mmHg at 25 °C indicates acetic acid should exist solely as a vapor in the ambient atmosphere. Vapor-phase acetic acid will be degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 22 days. Physical removal of vapor-phase acetic acid from the atmosphere occurs via wet deposition processes based on the miscibility of this compound in water. In acetate form, acetic acid has also been detected in atmospheric particulate material. If released to soil, acetic acid is expected to have very high to moderate mobility based upon measured Koc values, using near-shore marine sediments, ranging from 6.5 to 228. No detectable sorption was measured for acetic acid using two different soil samples and one lake sediment. Volatilization from moist soil surfaces is not expected to be an important fate process based upon a measured Henry’s law constant of 1×10-9 atmm3 mol-1. Volatilization from dry soil surfaces may occur based upon the vapor pressure of this compound. Biodegradation in both soil and water is expected to be rapid; a large number of biological screening studies has determined that acetic acid biodegrades readily under both aerobic and anaerobic conditions. Volatilization from water surfaces is not expected to be an important fate process based on its measured Henry’s law constant. An estimated bacterial colony foraging (BCF) of <1 suggests that the potential for bioconcentration in aquatic organisms is low.; View all

8.42 Incompatibilities: Acetic acid reacts with alkaline substances.

8.43 Waste Disposal: Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed

8.44 Regulatory Status: GRAS listed. Accepted as a food additive in Europe. Included in the FDA Inactive Ingredients Database (injections, nasal, ophthalmic, and oral preparations). Included in parenteral and nonparenteral preparations licensed in the UK.

8.45 Definition: ChEBI: Acetic acid is a simple monocarboxylic acid containing two carbons. It has a role as a protic solvent, a food acidity regulator, an antimicrobial food preservative and a Daphnia magna metabolite. It is a conjugate acid of an acetate.

9. Computational chemical data

Molecular Weight: 60.05196g/mol
Molecular Formula: C₂H₄O₂
Compound Is Canonicalized: True
XLogP3-AA: -0.2
Exact Mass: 60.021129366
Monoisotopic Mass: 60.021129366
Complexity: 31
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 37.3
Heavy Atom Count: 4
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACAgAACCAAAAgAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

Why is White Vinegar a Kitchen Essential? Feb 26 2024
White vinegar is a versatile staple in many households, valued for its multiple uses. In addition to being a powerful cleaning agent, white vinegar offers various health benefits and enhances the flav..
What is the Polarity of Acetic Acid? Dec 17 2023
Acetic acid and its Solvent Properties Acetic acid is a hydrophilic (polar) solvent commonly used in laboratories, similar to ethanol and water. It has a relative static dielectric constant of 6.2 and..
What are the factors influencing the boiling point of acetic acid and its applications? Aug 15 2023
Acetic acid, with the chemical formula CH3COOH, is a common chemical substance and an organic acid. Its boiling point, which refers to the temperature at which acetic acid changes from a liquid to a g..
How is Benzyl Acetic Acid Used and What is the Dosage? Jul 30 2023
Benzyl Acetic Acid is a commonly used pharmaceutical ingredient with antibacterial, anti-inflammatory, and antioxidant effects. Its main function is to kill bacteria by destroying their cell membranes..

11. Recommended Suppliers

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Hebei Crovell Biotech Co. Ltd Diamond member

4YRS

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:breeduan@crovellbio.com

Factory supply glacial acetic acid 99.8% in good price cas 64-19-7

Purity:99%Packing: 200kg/bag FOB
Price: 1.5 USD/kilogram
Time: 2024/11/15

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Hangzhou Dingyan Chem Co.,Ltd Diamond member

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Products:Export business of hi-tech products such as pharmaceutical materials (APIs), pharmaceutical intermediates, fine chemicals and biochemical reagents, etc.
Tel:86-571-86465881
Email:sales9@dingyanchem.com

Acetic acid

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kg
Time: 2024/11/15

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Hebei Yanxi Chemical Co.,Ltd Diamond member

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Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-185-31123677
Email:xing@yan-xi.com

Acetic acid

Purity:99%Packing: 200kg/bag FOB
Price: 500 USD/metric ton
Time: 2024/11/14

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Henan Tianfu Chemical Co.,Ltd Diamond member

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Products:Medical Intermediate,Lithium Battery Additive,Organicetc Chemical, Organic Chemical, Paint Chemical and Detergent Chemical etc..
Tel:0086-0371-55170693
Email:info@tianfuchem.com

acetic acid

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2024/11/15

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Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

3YRS

Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
Tel:+86-571-82512721
Email:sales@zeerrui.com

Acetic acid