3D Mol Similar

m-Cresol

: Iupac Name：3-methylphenol; CAS No.: 108-39-4; Molecular Weight：108.14; Modify Date.: 2022-11-29 11:43; Introduction:
m-Cresol, with the chemical formula C7H8O and CAS registry number 108-39-4, is a compound commonly used in the production of resins, preservatives, and disinfectants. This aromatic compound, also known as meta-cresol, is characterized by its distinct phenolic odor.Colorless liquid with a sweet tarry odor. Sinks and mixes slowly with water. It finds applications in industries such as pharmaceuticals, agriculture, and chemical manufacturing. m-Cresol is utilized as an intermediate in the synthesis of various chemicals and as a component in formulations for wood preservatives and antiseptics. Its properties make it valuable in the creation of products ranging from fragrances to pesticides. Additionally, m-Cresol has been studied for its potential in organic synthesis and as a precursor in the production of antioxidants and polymer additives.
View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; m-Cresol; 1.2 Synonyms; 1-Hydroxy-3-methylbenzene 1-Hydroxy-3-methylbenzene,3-Hydroxytoluene,3-Methylphenol 3-cresol 3-Hydroxytoluene 3-MeC6 H4OH 3-methyl-phenol EINECS 203-577-9 FEMA 3530 Gallex hydroxy-3-methylbenzene M-CRESOL 70 M-CRESOL F & D VERSION m-Cresole META-CRESOL MFCD00002302 m-kresol m-Me-C6H4-OH m-methylphenol m-methyl-PhOH m-oxytoluene m-toluol Phenol, 3-methyl- Phenol,3-methyl QR C1; View all

1.3 CAS No.: 108-39-4

1.4 CID: 342

1.5 EINECS(EC#): 203-577-9

1.6 Molecular Formula: C7H8O (isomer)

1.7 Inchi: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3

1.8 InChIkey: RLSSMJSEOOYNOY-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=CC(=CC=C1)O

1.10 Isomers Smiles: CC1=CC(=CC=C1)O

2. Properties

2.1 Density: 1.038

2.1 Melting point: 11-12 deg C

2.1 Boiling point: 52.7° F (NTP, 1992)

2.1 Refractive index: 1.539-1.541

2.1 Flash Point: 187° F (NTP, 1992)

2.2 Precise Quality: 108.057518

2.2 PSA: 20.23000

2.2 logP: 1.70060

2.2 Solubility: 23.5g/l

2.3 Λmax: 273nm(lit.)

2.4 VaporDensity: 3.72 (vs air)

2.5 Appearance: Clear colorless to slight red Liquid

2.6 Storage: Light Sensitive. Ambient temperatures.

2.7 Carcinogenicity: m-Cresol has induced a few papillomasbut no carcinomas in tumor studies.

2.8 Chemical Properties: colourless to light yellow liquid

2.9 Color/Form: Colorless, yellowish, brownish-yellow, or pinkish liquid
Colorless to yellow liquid [Note: A solid below 54 degrees F].

2.10 Contact Allergens: Metacresol is contained as a preservative in almost all human insulin. It has been reported as a cause of allergic reaction due to injected insulin.

2.11 Odor: Phenolic odor

2.12 Odor Threshold: 0.0001ppm

2.13 PH: 5 (20g/l, H2O, 20℃)

2.14 pKa: 10.01(at 25℃)

2.15 Water Solubility: H2O: 20 g/L (20 oC)

2.16 Spectral Properties: Index of refraction: 1.5398 @ 20 deg C/D
MAX ABSORPTION (HEXANE): 214 NM (LOG E= 3.79); 271 NM (LOG E= 3.20); 277 NM (LOG E= 3.27)
SADTLER REFERENCE NUMBER: 2338 (IR, PRISM); 322 (IR, GRATING)
Intense mass spectral peaks: 108 m/z (100%), 107 m/z (85%), 79 m/z (35%), 77 m/z (29%)
IR: 4818 (Coblentz Society Spectral Collection)
UV: 622 (Sadtler Research Laboratories Spectral Collection)
NMR: 160 (Varian Associates NMR Spectra Catalogue)
MASS: 336 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)

2.17 Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, strong acids, aluminium, aluminium alloys. Air and light sensitive. Hygroscopic.

2.18 StorageTemp: Store below +30°C.

3. Use and Manufacturing

3.1 Definition: ChEBI: A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.

3.2 General Description: Colorless liquid with a sweet tarry odor. Sinks and mixes slowly with water.

3.3 Methods of Manufacturing: Isopropyl toluene is generated from toluene and propylene in the presence of aluminum trichloride, and isopropyl toluene hydroperoxide is generated by air oxidation. After acid hydrolysis, acetone and meta- and para-cresols are obtained.?The mixed cresol and isobutylene are reacted and then separated by distillation, and then the tert-butyl group is removed.

3.4 Potential Exposure: Cresol is used as a disinfectant and fumigant; as an ore flotation agent, and as an intermediate in the manufacture of chemicals, dyes, plastics, and antioxidants. A mixture of isomers is generally used; the concentrations of the components are determined by the source of the cresol.

3.5 Shipping: UN2076 Cresols, liquid, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 8-Corrosive material. UN3455 Cresols, solid, Hazard class: 6.1; Labels: 6.1- Poisonous materials, 8-Corrosive material.

3.6 Usage: m-Cresol is an important organic intermediate (building block) to synthetize substituted aryl products.

3.7 Waste Disposal: Wastewaters may be subjected to biological treatment. Concentrations may be further reduced by ozone treatment. High concentration wastes may be destroyed in special waste incinerators. m-Cresol Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Symbol: GHS05, GHS06

4.1 Hazard Codes: T

4.1 Signal Word: Danger

4.1 Risk Statements: R24/25;R34

4.1 Safety Statements: S36/37/39;S45

4.1 Packing Group: II

4.1 Octanol/Water Partition Coefficient: log Kow = 1.96

4.2 Other Preventative Measures: The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emmissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
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 remain at employee's place of work for cleaning.
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.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Neutralize spilled material with crushed limestone, soda ash, or lime.
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.
Eyewash and quick drench should be available.; View all

4.3 Hazard Class: 6.1

4.3 Hazard Declaration: H301 + H311-H314

4.3 Cleanup Methods: Optimum conditions for removing cresol from wastewater with Lewatit MP 500 (a strong-base, large-pore, polystyrene-based anion exchange resin) were pH 6, 30 deg C, and a flow rate of 1 l/hr, and when removing cresol from 10 mg/l solutions, the capacity of the exchanger was 0.46 equiv/l.
Approach release from upwind. Control runoff and isolate discharged material for proper disposal.
Environmental considerations - Water spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
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, cement powder, or commercial sorbents.
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.; View all

4.4 DisposalMethods: [40 CFR 240-280, 300-306, 702-799 (7/1/2005)] Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number F004; U052; D024, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Chemical Treatability of m-Cresol; Concentration Process: Biological Treatment; Chemical Classification: Phenols; Scale of Study: Unknown; Type of Wastewater Used: Pure (one solute in a solvent); Results of Study: 96% reduction based on chemical oxygen demand; rate of biodegradation 55 mg chemical oxygen demand/g hr. (Activated sludge process).
Chemical Treatability of m-Cresol; Concentration Process: Solvent Extraction; Chemical Classification: Phenols; Scale of Study: Laboratory scale; continuous flow. Type of Wastewater Used: Industrial wastewater; Results of Study: 91% reduction (Extraction of evaporator condensate from spent caustic processing using isobutylene (S/W= 1.8); spray extractor used).
Cresol: A good candidate for rotary kiln incineration at temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids. /Cresols/; View all

4.5 DOT Emergency Guidelines: /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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic 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. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/; View all

4.6 RIDADR: UN 2076

4.6 Fire Fighting Procedures: Wear goggles & self-contained breathing apparatus.
Use water spray, dry chemical, foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.
Water may be used to blanket fire.
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 foam, dry chemical, or carbon dioxide. Use water spray to knock-down vapors.

4.7 FirePotential: Flammable when exposed to /SRP66: spark/ heat, flames, or oxidants.
Combustible liquid

4.8 Safety Profile: v Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Moderately toxic by skin contact. Severe eye and skin irritant. An experimental teratogen. Human mutation data reported. Questionable carcinogen with experimental neoplastigenic data. Flammable when exposed to heat or flame. Moderately explosive in the form of vapor when exposed to heat or flame. See also other cresol entries and PHENOL.

4.9 Caution Statement: P280-P301 + P310-P305 + P351 + P338-P310

4.9 Formulations/Preparations: Grade: Technical (95-98%)
Pure cresol is a mixture of ortho-, meta- & para-isomers. Crude cresol (commercial cresol) is a mixture of aromatic cmpd containing about 20% of o-cresol, 40% of m-cresol, & 30% of p-cresol with small amt of phenol & xylenols.
Franklin Cresolis, 50% m-cresol, 31% soap /cancelled/
Saponated Cresol Solution N.F., 50% m-cresol, 35% soap /cancelled/
Bacticin, 0.4660% m-cresol, 0.4630% 2,4-xylenol /cancelled/
Celcure Dry Mix (Chemicals for Wood Preserving), 5% m-cresol, 50% copper sulfate pentahydrate, 45% potassium dichromate /cancelled/
Rover's Dog Shampoo, 0.4% m-cresol, 1.0% paradichlorobenzene, 0.1% pine oil, 19.3% soap /cancelled/
Gallex, 0.4660% m-cresol, 0.4630% 2,4-xylenol /active/
Generally ... /m- and p-/ isomers are used industrially as a mixture containing 40% to 65% m-cresol.

4.10 Incompatibilities: Vapors may form explosive mixture with air. Incompatible with strong acids; oxidizers, alkalies, aliphatic amines; amides, chlorosulfonic acid; oleum. Decomposes on heating, producing strong acids and bases, causing fire and explosion hazard. Liquid attacks some plastics and rubber. Attacks many metals.

4.11 WGK Germany: 1

4.11 RTECS: GO6125000

4.11 Protective Equipment and Clothing: The nose and mouth should be protected with a respirator or folded gauze, and the eyes with tight-fitting goggles. Protective clothing, including rubber (not cotton) gloves, should be worn. Clothing should be removed immediately if contaminated by spillage. All clothing worn during one spraying operation should be laundered before re-use.
The use of respirators to achieve compliance with the recommended exposure limits is permitted only: (a) during the time necessary to install or test the required engineering controls, and (b) during emergencies or during nonroutine operations, such as maintenance or repair activities, when the concentration of airborne cresol may exceed the permissible environmental limit.
In the factory it is necessary to take ... precautions in handling cresol. Rubber clothes & articles ... can ... give effective protection.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
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.)
Respirator Recommendations: Up to 23 ppm: (Assigned Protection Factor = 10) Any air-purifying half-mask respirator with organic vapor cartridge(s) in combination with an N95, R95, or P95 filter. The following filters may also be used: N99, R99, P99, N100, R100, P100./(Assigned Protection Factor = 10) Any supplied-air respirator.
Respirator Recommendations: Up to 57.5 ppm: (Assigned Protection Factor = 25) Any supplied-air respirator operated in a continuous-flow mode./(Assigned Protection Factor = 25) Any powered air-purifying respirator with an organic vapor cartridge in combination with a high-efficiency particulate filter.
Respirator Recommendations: Up to 115 ppm: (Assigned Protection Factor = 50) Any air-purifying full-facepiece respirator equipped with organic vapor cartridge(s) in combination with an N100, R100, or P100 filter./(Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having an N100, R100, or P100 filter./(Assigned Protection Factor = 50) Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s) in combination with a high-efficiency particulate filter. Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any supplied-air respirator that has a tight-fitting facepiece and is operated in a continuous-flow mode. Substance reported to cause eye irritation or damage; may require eye protection./(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: Up to 250 ppm: (Assigned Protection Factor = 2000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
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 having an N100, R100, or P100 filter./Any appropriate escape-type, self-contained breathing apparatus.; View all

4.12 Reactivities and Incompatibilities: Strong oxidizers, acids.

4.13 Skin, Eye, and Respiratory Irritations: Vapors cause irritation of eyes, nose, and throat.
Corrosive. Causes severe eye and skin burns. May be harmful if absorbed through skin or inhaled. Irritating to skin, eyes, and respiratory system. Symptoms include severe irritation of eyes with tearing, conjunctivitis, and corneal edema. May act as a skin sensitizer.
... Cresol is a strong dermal irritant and causes frequent dermatitis. Serious or even fatal poisoning may result if large areas of the skin are wet with cresol and the cresol is not removed.
Cresol slightly more corrosive /to the skin or eyes/ than phenol, but systemic effects may be a little milder because of slower absorption.
m-Cresol ... somewhat less toxic and less irritant than phenol, while o-cresol is more toxic and p-cresol is most toxic of all three.

4.14 Safety: Hazard Codes:?T
Risk Statements: 24/25-34-39/23/24/25-23/24/25?
R24: Toxic in contact with skin?
R25: Toxic if swallowed?
R34: Causes burns?
R39: Danger of very serious irreversible effects
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 36/37/39-45-36/37?
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)?
S36/37: Wear suitable protective clothing and gloves
RIDADR: UN 2076 6.1/PG 2
WGK Germany: 1
RTECS: GO6125000
F: 8
HazardClass: 6.1
PackingGroup: II
HS Code: 29071200
Hazardous Substances Data: 108-39-4(Hazardous Substances Data); View all

4.15 Specification

The D-Cyclohexylalaninol with its cas register number is 205445-49-4. It also can be called as D-Cyclohexylalaninol and the Systematic name about this chemical is (2R)-2-(cyclohexylamino)propan-1-ol. It belongs to the Peptide.

Physical properties about D-Cyclohexylalaninol are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): -1.65; (3)ACD/LogD (pH 7.4): -1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47Å²; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 46.81 cm³; (14)Molar Volume: 165.3 cm³; (15)Polarizability: 18.5510^-24cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 59.65 kJ/mol; (18)Vapour Pressure: 0.000641 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H](NC1CCCCC1)C
(2)InChI: InChI=1/C9H19NO/c1-8(7-11)10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1
(3)InChIKey: XPWWRSIBXKFKTA-MRVPVSSYBN
(4)Std. InChI: InChI=1S/C9H19NO/c1-8(7-11)10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1
(5)Std. InChIKey: XPWWRSIBXKFKTA-MRVPVSSYSA-N

View all

4.16 Toxicity: Oral-Rat LD50: 242 mg/kg; Oral-Mouse LD50: 828 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301 Toxic if swallowed H311 Toxic in contact with skin H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. 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 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	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

1H NMR : 400 MHz in CDCl3

IR : liquid film

Mass

7. Synthesis Route

108-39-4Total: 215 Synthesis Route

59-50-7 12 Suppliers

108-39-4 136 Suppliers

Literatures:
Pandey, Paras N.; Purkayastha, Makhan L. Synthesis, 1982 , # 10 p. 876 - 878
Yield: ~90%

95-49-8 84 Suppliers

108-39-4 136 Suppliers

Literatures:
Journal of the American Chemical Society, , vol. 54, p. 2920 US1996744 , ; Industrial and Engineering Chemistry, , vol. 38, p. 254,261 Chem. Zentralbl., , vol. 106, # II p. 1962
Yield: ~%

99-94-5 265 Suppliers

108-39-4 136 Suppliers

Literatures:
US2766294 , ; Journal of the American Chemical Society, , vol. 83, p. 2507,2509
Yield: ~%

View all

8. Precursor and Product

precursor:

106-43-4

100-84-5

90-05-1

625-95-6

89-83-8

95-49-8

873-62-1

99-94-5

86-66-8

834-17-3

59-50-7

122-46-3

591-24-2

95-48-7

108-41-8

89-81-6

591-17-3

76-22-2

118-90-1

View all

product :

100-84-5

698-27-1

89-83-8

504-15-4

59-50-7

620-46-2

95-71-6

108-41-8

553-97-9

700-38-9

563-04-2

614-32-4

615-01-0

99-06-9

602-99-3

452-86-8

88-60-8

102-50-1

122-46-3

50-85-1

591-23-1

95-84-1

95-87-4

100-83-4

551-76-8

View all

9. Other Information

9.0 Merck: 14,2579

9.1 BRN: 506719

9.2 Chemical Properties: colourless to light yellow liquid

9.3 Chemical Properties: Cresol is a mixture of the three isomeric cresols, o-, m-, and p-cresol. Cresols are slightly soluble in water. m-Isomer: Colorless or yellow liquid with characteristic odor.

9.4 Uses: Antiseptic; antimicrobial preservative.

9.5 Definition: ChEBI: A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.

9.6 General Description: Colorless liquid with a sweet tarry odor. Sinks and mixes slowly with water.

9.7 Air & Water Reactions: Water soluble.

9.8 Reactivity Profile: m-Cresol is sensitive to air, light and heat. m-Cresol is also hygroscopic. m-Cresol can react vigorously with strong oxidizers and strong bases. m-Cresol reacts violently with nitric acid, oleum, chlorosulfonic acid, metals and strong acids. If the water content is below approximately 0.3% and the temperature above 248° F, the corrosion of aluminum and its alloys may occur violently. m-Cresol will attack some forms of plastics, coatings and rubber.

9.9 Hazard: Questionable carcinogen.

9.10 Health Hazard: INHALATION: Mucosal irritation and systemic poisoning EYES: Intense irritation and pain, swelling of conjunctiva, and corneal damage may occur. SKIN: Intense burning, loss of feeling, wrinkling, white discoloration, and softening. Gangrene may occur. INGESTION: Burning sensation in mouth and esophagus. Vomiting may result. Acute exposure by all routes may cause muscular weakness, gastroenteric disturbances, severe depression, collapse. Effects are primarily on CNS and edema of lungs. Injury of spleen and pancreas may occur.

9.11 Contact allergens: Metacresol is contained as a preservative in almost all human insulin. It has been reported as a cause of allergic reaction due to injected insulin.

9.12 Safety Profile: v Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Moderately toxic by skin contact. Severe eye and skin irritant. An experimental teratogen. Human mutation data reported. Questionable carcinogen with experimental neoplastigenic data. Flammable when exposed to heat or flame. Moderately explosive in the form of vapor when exposed to heat or flame. See also other cresol entries and PHENOL.

9.13 Potential Exposure: Cresol is used as a disinfectant and fumigant; as an ore flotation agent, and as an intermediate in the manufacture of chemicals, dyes, plastics, and antioxidants. A mixture of isomers is generally used; the concentrations of the components are determined by the source of the cresol.

9.14 First aid: If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema Cresols 931 may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy

9.15 Shipping: UN2076 Cresols, liquid, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 8-Corrosive material. UN3455 Cresols, solid, Hazard class: 6.1; Labels: 6.1- Poisonous materials, 8-Corrosive material.

9.16 Purification Methods: Separation of the m-and p-cresols requires chemical methods, such as conversion to their sulfonates [Brüchner Anal Chem 75 289 1928]. An equal volume of H2SO4 is added to m-cresol, stirred with a glass rod until solution is complete. Heat for 3hours at 103-105o. Dilute carefully with 1-1.5 volumes of water, heat to boiling point and steam distil until all unsulfonated cresol has been removed. Cool and extract the residue with ether. Evaporate the solution until the boiling point reaches 134o and steam distil off the m-cresol. Another purification method involves distillation, fractional crystallisation from the melt, then redistillation. Free from p-cresol by solution in glacial acetic acid and bromination by about half of an equivalent amount of bromine in glacial acetic acid. The acetic acid is distilled off, then fractional distillation of the residue under vacuum gives bromocresols from which 4-bromo-m-cresol is obtained by crystallisation from hexane. Addition of the bromocresol in glacial acetic acid slowly to a reaction mixture of HI and red phosphorus or (more smoothly) of HI and hypophosphorus acid, in glacial acetic acid, at reflux, removes the bromine. After an hour, the solution is distilled at atmospheric pressure until layers are formed. Then it is cooled and diluted with water. The cresol is extracted with ether, washed with water, NaHCO3 solution and again with water, dried with a little CaCl2 and distilled [Baltzly et al. J Am Chem Soc 77 2522 1955]. The 3,5-dinitrobenzoate (prepared with 3,5-dinitrobenzoyl chloride in dry pyridine, and recrystallised from EtOH or aqueous Me2CO) has m 165o. [Beilstein 6 IV 2035.]; View all

9.17 Incompatibilities: Vapors may form explosive mixture with air. Incompatible with strong acids; oxidizers, alkalies, aliphatic amines; amides, chlorosulfonic acid; oleum. Decomposes on heating, producing strong acids and bases, causing fire and explosion hazard. Liquid attacks some plastics and rubber. Attacks many metals.

9.18 Waste Disposal: Wastewaters may be subjected to biological treatment. Concentrations may be further reduced by ozone treatment. High concentration wastes may be destroyed in special waste incinerators.

9.19 Usage: m-Cresol is employed in the preparation of synthetic resins like phenol-formaldehyde resins, disinfectants, and photographic developers. It is used as industrial solvent for dissolving polymers such as polyaniline. It acts as a precursor to vitamin E and antiseptic amylmetacresol. It is used as insuline preservatives.

9.20 Uses: m-Cresol is an important organic intermediate (building block) to synthetize substituted aryl products.

9.21 Chemical Properties: m-Cresol has a dry, tarry, medicinal–leathery odor. m-Cresol and p-cresol very often occur together and are difficult to separate.

9.22 Occurrence: Reported found in beer, coffee, egg, grape, Oriental tobacco, roasted barley, rum, sherry and whiskey.

9.23 Uses: m-Cresol is used as a disinfectant and solvent. Lysol^TM disinfectant is a 50% (v/v) mixed-cresol isomer in a soap emulsion formed on mixing with water. The isomer m-cresol is an oily liquid with low volatility. Besides disinfection at solutions of 1–5%, the cresols are used in degreasing compounds, paintbrush cleaners, and additives in lubricating oils. Cresols were once widely used for disinfection of poultry houses, but this use has been discontinued because they cause respiratory problems and abdominal edema in young chicks. m-Cresol has been used in synthetic resins, explosives, petroleum, photographic, paint, and agricultural industries.

9.24 Production Methods: The cresols (cresylic acids) are methyl phenols and generally appear as a mixture of isomers. m-Cresol is prepared from m-toluic acid or obtained from coal tar or petroleum (352, 355, 356). Crude cresol is obtained by distilling “gray phenic acid” at a temperature of ～180–201°C. The m-cresol may be separated from the crude or purified mixture by repeated fractional distillation in vacuo. It can also be prepared synthetically by diazotization of the specific toluidine or by fusion of the corresponding toluenesulfonic acid with sodium hydroxide.

9.25 Preparation: One process involving butylation and separation and followed by dealkylation produces m-cresol and ditertiary butyl p-cresol. From m, p-cresol (which is the main product of the recovery process) pure m-cresol can be obtained by extraction.

9.26 Aroma threshold values: Aroma characteristics at 1.0%: phenolic, spicy eugenol-like, medicinal, smoky powdery with a leatherlike note.

9.27 Taste threshold values: Taste characteristics at 2 ppm: phenolic, smoky, balsamic, medicinal and spicy eugenol-like

9.28 Contact allergens: Metacresol is contained as a preservative in almost all human insulin. It has been reported as a cause of allergic reaction due to injected insulin.

9.29 Carcinogenicity: m-Cresol has induced a few papillomas but no carcinomas in tumor studies.

9.30 Storage Conditions: Isopropyl toluene is generated from toluene and propylene in the presence of aluminum trichloride, and isopropyl toluene hydroperoxide is generated by air oxidation. After acid hydrolysis, acetone and meta- and para-cresols are obtained.?The mixed cresol and isobutylene are reacted and then separated by distillation, and then the tert-butyl group is removed.

9.31 Storage features: The warehouse is ventilated, low-temperature and dry; stored separately from oxidants.

10. Computational chemical data

Molecular Weight: 108.14g/mol
Molecular Formula: C₇H₈O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 108.057514874
Monoisotopic Mass: 108.057514874
Complexity: 70.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 20.2
Heavy Atom Count: 8
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: AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyBoAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwBAOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

11. Question & Answer

How to Choose High-Quality m-Cresol for Pharmaceutical Procurement? Jul 29 2023
m-Cresol is an important chemical that is widely used in the pharmaceutical field for its antibacterial and antioxidant properties. This article will focus on the application of m-Cresol in pharmaceut..
What are the downstream applications of m-Cresol and its potential hazards? Jan 28 2023
m-Cresol, also known as meta-cresol, is a colorless or pale yellow liquid at room temperature. It has a distinct odor and is slightly soluble in water, but soluble in ethanol, ether, and sodium hydrox..
confusion regarding meta-cresol and phenol Apr 20 2022
when I googled the answer, i found out that m-cresol has a PKa value of 10.1 whereas phenol has 10.0. I am simply unable to use any logic to compare their strengths. We have been taught only the reso..
What is the Role of m-Cresol in Cosmetics and Food Packaging? Dec 17 2019
m-Cresol, a compound known as a methylphenol, serves as a versatile ingredient in cosmetics. It acts as both a preservative and a fragrance component, making it valuable in the formulation of cosmetic..

12. Recommended Suppliers

Global121SuppliersView all >>

Hebei Yanxi Chemical Co.,Ltd Diamond member

6YRS

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

m-Cresol suppliers in ChinaCAS NO.: 108-39-4

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/11/14

Inquire

Hebei Crovell Biotech Co. Ltd Diamond member

4YRS

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

CAS 108-39-4 high purity 99.5% C7H8O meta m-Cresol

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/11/15

Inquire

Shanghai Worldyang Chemical Co.,Ltd. Diamond member

3YRS

Products:API,intermediate,hormone
Tel:+86-21-56791066
Email:sales001@worldyachem.com

m-Cresol CAS 108-39-4

Purity:99%Packing: 200kg/bag FOB
Price: 200 USD/kg
Time: 2024/11/04

Inquire

Henan Tianfu Chemical Co.,Ltd Diamond member

2YRS

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

m-cresol