3D Mol Similar

1-Hexanol

: Iupac Name：hexan-1-ol; CAS No.: 111-27-3; Molecular Weight：102.17476; Modify Date.: 2022-10-30 07:29; Introduction:
1-Hexanol, with the chemical formula C6H14O and CAS registry number 111-27-3, is a compound known for its role as a primary alcohol. This colorless liquid, also referred to as hexyl alcohol, is characterized by its six carbon atoms and hydroxyl group. It is commonly used as a solvent in various industries, including pharmaceuticals, cosmetics, and flavors. 1-Hexanol is also used in the production of plasticizers, surfactants, and perfumes. It has been studied for its potential antimicrobial and antifungal properties. 1-Hexanol is an important compound in the field of organic chemistry and chemical engineering, contributing to the development of new materials and processes.
View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 1-Hexanol; 1.2 Synonyms; 1-Hexyl alcohol 1-Hexylalcohol 1-Hydroxyhexane 4-01-00-01694 alcooln-hexylique Caproic alcohol Capronicalcohol Caproyl alcohol caproylalcohol EINECS 203-852-3 Epal 6 epal6 Exxal 6 FEMA 2567 hexan-1 hexan-1-ol hexanol Hexyl alcohol MFCD00002982 n-C6H13OH n-Hexan-1-ol n-hexanol n-Hexenol n-Hexyl alcohol Q6 UNII-6CP2QER8GS; View all

1.3 CAS No.: 111-27-3

1.4 CID: 8103

1.5 EINECS(EC#): 203-852-3

1.6 Molecular Formula: C6H14O (isomer)

1.7 Inchi: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

1.8 InChIkey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCCCO

1.10 Isomers Smiles: CCCCCCO

2. Properties

2.1 Density: 0.8136

2.1 Melting point: -52℃

2.1 Boiling point: 156-157℃

2.1 Refractive index: 1.417-1.419

2.1 Flash Point: 59℃

2.2 Precise Quality: 102.10400

2.2 PSA: 20.23000

2.2 logP: 1.55900

2.2 Solubility: ethanol: soluble(lit.)

2.3 Viscosity: 0.592 cP at 25 °C

2.4 VaporDensity: 4.5 (vs air)

2.5 Appearance: Clear, colorless liquid with a fruity odor.

2.6 Atmospheric OH Rate Constant: 1.25e-11 cm3/molecule*sec

2.7 Storage: Ambient temperatures.

2.8 Autoignition Temperature: 580 °F (USCG, 1999)

2.9 Carcinogenicity: 1-Hexanol was not a skin tumorpromoter when applied three times a week for 60 weeks tomice skin that had been initiated with dimethylbenz[a]anthracene.

2.10 Chemical Properties: Hexyl alcohol has an herbaceous, woody, fragrant, mild, sweet, green fruity odor and aromatic flavor.

2.11 Color/Form: Colorless liquid

2.12 Heat of Combustion: -951.86 kcal/mole at 25 °C

2.13 Heat of Vaporization: 14.78 kcal/mole at 25 °C

2.14 HenrysLawConstant: 1.71e-05 atm-m3/mole

2.15 Odor: Characteristic; sweet alcohol; pleasant

2.16 Odor Threshold: The absolute perceived concentration has been reported as 0.01 ppm, and the recognition level is 0.09 ppm.

2.17 pKa: 15.38±0.10(Predicted)

2.18 Water Solubility: 6 g/L (25 oC)

2.19 Spectral Properties: SADTLER REFERENCE NUMBER: 4064 (IR, PRISM)
Index of refraction = 1.4162 at 25 deg C/4 deg C
IR: 4808 (Coblentz Society Spectral Collection)
1H NMR: 198 (Sadtler Research Laboratories Spectral Collection)
MASS: 39197 (NITS/EPA/MSDC Mass Spectral database, 1990 version); 176 (National Bureau of Standards)
Raman: 607 (Sadtler Research Laboratories Spectral Collection)

2.20 Stability: Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible.

2.21 StorageTemp: no restrictions.

2.22 Surface Tension: 25.73 dyne/cm at 25.20 °C

3. Use and Manufacturing

3.1 Chemical Reactivity: Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

3.2 Definition: ChEBI: A primary alcohol that is hexane substituted by a hydroxy group at position 1.

3.3 General Description: Colorless liquid. The boiling point is 157 ° C; the relative density is 0.819. Miscible in ethanol, propylene glycol and oil. There are light blue shoots breath, wine, fruit and fat flavor.Naturally occurs in some fruits such as apples, strawberries, bitter oranges, also found in camphor oil, tea leaves, tobacco leaves, eucalyptus and coffee. It appears as colorless transparent liquid with fruit-like aroma at low concentration. Sweet; rapidly oxidized in the air; can have polymerization reaction upon contact with concentrated inorganic acid. Similar to normal fatty aldehydes, it can be oxidized to caproic acid and reduced to hexanol.

3.4 Produe Method: (1) It is generally derived from acetic acid reduction in industry. Bromine butane and magnesium shards reaction obtains butyl magnesium bromide, and the butyl magnesium bromide reacted with ethylene oxide to get ethanol under laboratorial study.(2) Via n-hexylic acid reduction.

3.5 Purification Methods: The commercial material usually contains other alcohols which are difficult to remove. A suitable method is to esterify with hydroxybenzoic acid, recrystallise the ester and saponify. [Olivier Recl Trav Chim, Pays-Bas 55 1027 1936.] Drying agents include K2CO3 and CaSO4, followed by filtration and distillation. (Some decomposition to the olefin occurs when Al amalgam is used as drying agent at room temperature, even if the amalgam is removed prior to distillation.) If the alcohol is required anhydrous, the redistilled material can be refluxed with the appropriate alkyl phthalate or succinate, as described under Ethanol. [Beilstein 1 IV 1694.] 1-Hexanol Preparation Products And Raw materials Raw materials

3.6 Usage: It often acts as part of the head incense used in fragrance base and formulated essential oil (such as geraniol oil). A trace of hexanol is used for violet, sweet-scented osmanthus, magnolia, ylang-type flavor to modify or increase the tender atmosphere, as well as used for edible coconut formula, berries and various types of fruit flavor. It is used as solvents and analytical reagents, also used in the pharmaceutical industry for preservatives and sleeping pills. The goods are listed in China's GB 2760-96. It is mainly used to prepare coconut and berry flavor and used for the production of surfactants, plasticizers, fatty alcohols and so on. It is also used for chromatography reagents and organic synthesis.Gas chromatography analysis standards. Lithium chloride was isolated from potassium chloride and sodium chloride. Solvent.In the synthesis of spices and the preparation of caproic acid; also used as gas chromatography reagents for Wittig and Aldol reactions.

4. Safety and Handling

4.1 Symbol: GHS02;GHS07;

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R22

4.1 Safety Statements: S24/25

4.1 Exposure Standards and Regulations: Hexyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

4.2 Packing Group: III

4.2 Octanol/Water Partition Coefficient: log Kow = 2.03

4.3 Other Preventative Measures: 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. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
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.

4.4 Hazard Class: 3

4.4 Hazard Declaration: H226; H302 + H312; H319

4.4 Cleanup Methods: Absorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper.
AEROBIC: 5-Day theoretical BODs of 28%(1), 53% (initial concn of 100 ppm)(2) and 83.6% (initial concn of 2,000 ppm)(3) were observed for 1-hexanol in aerobic screening tests using a sewage inocula. An aerobic biodegradation rate constant of 7.99X10-2 1/hr(4), which corresponds to a half-life of 0.36 days(SRC), was determined in an aerobic screening test at pH 7 and 25 deg C using an activated sludge inocula. In a similar screening test, the rate constant was measured to be 1.7X10-2 1/hr(5), which corresponds to a biodegradation half-life of 1.7 days(SRC).
ANAEROBIC: Anaerobic biodegradation studies show 1-hexanol degradation rates of 75%(1) and 83%(2) in 7 days at 37 deg C using a synthetic sewage inocula.

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.
Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent.

4.6 DOT Emergency Guidelines: /GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily 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 confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn 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. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ 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. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). 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. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane or nitroethane. Large fires: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. 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. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Spill or Leak: 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 or cover with dry 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. /Hexanols/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. 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. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. 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. /Hexanols/; View all

4.7 RIDADR: UN 2282

4.7 Fire Fighting Procedures: Use carbon dioxide, dry chemical or "alcohol" foam extinguisher. Water is ineffective to fire fighting, but is effective to keep fire-exposed containers cool.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. 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, carbon dioxide or dry chemical. Keep run off water out of sewers and water sources.

4.8 FirePotential: Flammable liquid when exposed to heat, sparks or flame.

4.9 Caution Statement: P280-P305 + P351 + P338

4.9 Formulations/Preparations: Grades: Technical (90-99%); purified (99.8%).
Blend of hexanol, 4%; octanol, 42%; decanol, 54%
Epal 610: C6 alcohol, 17 wt%; C8 alcohol, 36 wt%; C10 alcohol, 47 wt% /from table/
Epal 810: C6 alcohol, 1 wt%; C8 alcohol, 45 wt%; C10 alcohol, 54 wt% /from table/
Esso/Enjay offers ... an isomeric mixture under the name Hexanol that consists of 44 % 1-hexanol, 53 % 2-methylpentanol, and 3 % 2-ethylbutanol.
The commercial product /of isohexyl alcohol/ typically consists of three isomers with the following composition: 44% 1-hexanol, 53% methylpentanols, and 3% 2-ethylbutanol. /Isohexyl alcohol/

4.10 WGK Germany: 1

4.10 RTECS: MQ4025000

4.10 Protective Equipment and Clothing: Liquid causes eye burns and skin irritation.
It is moderately irritating to the skin and severely irritating to the eye.
In a human patch test, 1-hexanol (1% in petrolatum) was neither a skin irritant nor a skin sensitizer. Overexposure to 1-hexanol is likely to lead to irritation of the eyes and respiratory tract and possible ... /CNS depression/.

4.11 Reactivities and Incompatibilities: Can react with oxidizing materials.

4.12 Skin, Eye, and Respiratory Irritations: Liquid causes eye burns and skin irritation.
It is moderately irritating to the skin and severely irritating to the eye.
In a human patch test, 1-hexanol (1% in petrolatum) was neither a skin irritant nor a skin sensitizer. Overexposure to 1-hexanol is likely to lead to irritation of the eyes and respiratory tract and possible ... /CNS depression/.

4.13 Safety: Hazard Codes:?Xn?
Risk Statements: 22?
R22: Harmful if swallowed.
Safety Statements: 24/25?
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2282 3/PG 3
WGK Germany: 1
RTECS: MQ4025000
HazardClass: 3
PackingGroup: III
HS Code: 29051900

4.14 Specification: Colourless liquid (odour recognition threshold 0.09ppm)
Safety Statements:24/25
24/25:Avoid contact with skin and eyes

4.15 Toxicity

1.	???	ratLD50:720mg/kg	???	South African Medical Journal. Vol. 43, Pg. 795, 1969.
2.	???	rabbitLD50:3100uL/kg	???	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119,? 1951.
3.	???	mouseLD50:1950mg/kg	???	Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966.
4.	???	guineapigLC:>1060ppm/6H	???	Food and Cosmetics Toxicology. Vol. 13, Pg. 695, 1975.

View all

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth.
Storage	none
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

Predict 1H proton NMR

gas

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,100M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

111-27-3Total: 211 Synthesis Route

66-25-1 70 Suppliers

111-27-3 228 Suppliers

Literatures:
Cha, Jin Soon; Brown, Herbert C. Journal of Organic Chemistry, 1993 , vol. 58, # 17 p. 4727 - 4731
Yield: ~99%

66-25-1 70 Suppliers

142-62-1 172 Suppliers

111-27-3 228 Suppliers

Literatures:
Chemistry - A European Journal, , vol. 15, # 39 p. 10132 - 10143
Yield: ~6%

75-21-8 118 Suppliers

626-93-7 19 Suppliers

111-27-3 228 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 12, p. 510,513,514
Yield: null

View all

8. Other Information

8.0 Usage: 1-Hexanol is used as a precursor to plasticizers, chemical intermediate for pharmaceuticals, perfume esters and antiseptics. Further, it serves as a perturbing agent on actomyosin adenosine triphosphatease. In addition to this, it is used to modulate the function of actomyosin motor.

8.1 Merck: 14,4697

8.2 BRN: 969167

8.3 General Description: Colorless liquid. The boiling point is 157 ° C; the relative density is 0.819. Miscible in ethanol, propylene glycol and oil. There are light blue shoots breath, wine, fruit and fat flavor.
Naturally occurs in some fruits such as apples, strawberries, bitter oranges, also found in camphor oil, tea leaves, tobacco leaves, eucalyptus and coffee. It appears as colorless transparent liquid with fruit-like aroma at low concentration. Sweet; rapidly oxidized in the air; can have polymerization reaction upon contact with concentrated inorganic acid. Similar to normal fatty aldehydes, it can be oxidized to caproic acid and reduced to hexanol.

8.4 Uses

It often acts as part of the head incense used in fragrance base and formulated essential oil (such as geraniol oil). A trace of hexanol is used for violet, sweet-scented osmanthus, magnolia, ylang-type flavor to modify or increase the tender atmosphere, as well as used for edible coconut formula, berries and various types of fruit flavor. It is used as solvents and analytical reagents, also used in the pharmaceutical industry for preservatives and sleeping pills. The goods are listed in China's GB 2760-96. It is mainly used to prepare coconut and berry flavor and used for the production of surfactants, plasticizers, fatty alcohols and so on. It is also used for chromatography reagents and organic synthesis.
Gas chromatography analysis standards. Lithium chloride was isolated from potassium chloride and sodium chloride. Solvent.
In the synthesis of spices and the preparation of caproic acid; also used as gas chromatography reagents for Wittig and Aldol reactions.

View all

8.5 Content Analysis: Add 700 ml of newly distilled pyridine into a 1000 ml brown bottle with a glass stopper; add phthalic anhydride 11 5g with strong shaking to complete dissolution. Take the solution 25.0ml, adding into a bottle with heat pressure resistance. The bottle are tightly wrapped and fixed.Weigh the sample about 1 g with the weighing pipette; add it into the pressure bottle; stamped. The sample was fixed in a canvas bag, heated in a water bath at 98~100 ℃ for 3h, and let the water level in the water bath higher than the bottle level. After removal, cool it to room temperature; carefully open the stopper, and do not make a content loss. Add 0.5mol/L sodium hydroxide solution 50.0ml (Note: This 50.0ml 0.5mol/L sodium hydroxide solution is not included in the final calculation). Add 1% phenolphthalein 5 drops of pyridine solution, and then 0.5 mol/L sodium hydroxide solution to the pink end point and maintain 15 s unchanged. At the same time carry out a blank test. Per milliliter of sodium hydroxide solution 0.5mol/L is equivalent to alcohol (C6H14O) 51.09 mg. Or measured by non-polar column in GT-10-4 gas chromatography.; View all

8.6 maximum level: FEMA (mg/kg): soft drinks 6.6; cold drinks 26; candy 21; baked food 18; puddings 0.22 to 0.28.
Moderation (FDA § 172.515, 2000).

8.7 Preparation

Hexanol oxidation;
Use calcium hexanoate and formic acid as the raw materials, heat and reflux them to obtain it.

8.8 Production methods: (1) It is generally derived from acetic acid reduction in industry. Bromine butane and magnesium shards reaction obtains butyl magnesium bromide, and the butyl magnesium bromide reacted with ethylene oxide to get ethanol under laboratorial study.
(2) Via n-hexylic acid reduction.

8.9 Hazards & Safety Information: Category: Flammable liquids
Toxic classification: Moderately hazardous
Acute toxicity
Oral-Rat LD50: 720 mg/kg; Oral-mouse LD50: 1950 mg/kg
Stimulation data: Skin-Rabbit 10 mg/24 h Mild; Eye-Rabbit 250 μg Severity.
Flammability characteristics: In case of fire, high temperature, strong oxidant flammable; combustion emissions to stimulate smoke
Storage and transport: Packaging integrity, light loading and unloading; Treasury ventilation, away from open flame, high temperature, stored separately from the oxidant.
Fire extinguishing agent: Foam, dry powder, carbon dioxide, sand.

8.10 Description: Hexyl alcohol has a fruity odor and aromatic flavor. May be synthesized by reduction of n-caproic acid; the n-hexyl alcohol represents one of the 14 possible isomers of this alcohol.

8.11 Chemical Properties: Hexyl alcohol has an herbaceous, woody, fragrant, mild, sweet, green fruity odor and aromatic flavor.

8.12 Chemical Properties: Colourless liquid (odour recognition threshold 0.09ppm)

8.13 Chemical Properties: 1-Hexanol is a liquid at room temperature.The absolute perceived concentration has been reported as 0.01 ppm, and the recognition level is 0.09 ppm .

8.14 Occurrence: Reported found among the constituents of several essential oils and aromas: apple, strawberry, tea, violet (leaves and flowers), Java citronella, Bourbon geranium, lavender, lavandin, spike, Litsea zeylanica; also identified in bitter orange. Also reported found in over 300 natural sources including apples, banana, sweet and sour cherry, citrus peel oils and juice, kumquat peel oil, berries, guava, grapes, raisin, melon, papaya, peach, pear, pineapple, asparagus, kohlrabi, cabbage, celery, cucumber, lettuce, leek, garlic, raw and cooked potato, sauerkraut, tomato, bell pepper, ginger, mint oils, mustard, breads, cheeses, butter, milk, fatty fish, meats, cognac, whiskies, rum, cider, grape wines, coffee, tea, cocoa, peanut oil, pecans, soybeans, nuts, coconut meat and milk, avocado, olive, passion fruit, plum, beans, mushrooms, starfruit, mango, fenugreek, sesame seed oil, figs, kelp, cardamom, coriander, gin, rice, fruit brandies, prickly pear, licorice, lovage corn oil, endive, truffles and other sources; View all

8.15 Uses: 1-Hexanol was examined as a perturbing agent on actomyosin ATPase and and was found to modulate the function of actomyosin motor via intermediate-specific structural perturbation.

8.16 Uses: 1-Hexanol has been used as an odorant to study olfactory responses and to thin the dielectric layer of poly(4-vinylphenol) (PVP).

9. Computational chemical data

Molecular Weight: 102.17476g/mol
Molecular Formula: C₆H₁₄O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 102.104465066
Monoisotopic Mass: 102.104465066
Complexity: 27.4
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 20.2
Heavy Atom Count: 7
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: AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

What are the Characteristics and Applications of Natural Hexyl Alcohol? May 20 2024
Introduction to Natural Hexyl Alcohol Natural hexyl alcohol, also known as hexanol, is an organic compound with the formula C6H13OH. It is a colorless liquid that is sparingly soluble in water but hig..
What are the quality standards and production equipment for 1-Hexanol in the pharmaceutical industry? Oct 08 2023
1-Hexanol is one of the important compounds in the pharmaceutical field. So, how do we measure the quality standards of 1-Hexanol? What are the commonly used production instruments in the pharmaceuti..
What are the applications and toxicity of 1-Hexanol? Feb 22 2023
1-Hexanol, also known as hexyl alcohol, is a colorless and transparent liquid at room temperature and pressure. It has a similar odor to alcohol and is slightly soluble in water but more soluble in or..
Which compound is more soluble in water, CH3OH , C2H5OH, CH3COCH3, or hexanol? Mar 23 2022
All three of CH3OH (methanol), CH3CH2OH (ethanol), and CH3COCH3 (acetone) can be mixed with water in any proportion. Each “hexanol” (actually there are three structural isomers: 1-hexanol, 2-hexanol..

11. Recommended Suppliers

Global206SuppliersView all >>

Hebei Saisier Technology Co., LTD Diamond member

2YRS

Products:Our company specializes in the research and development of fine chemicals, food additives and pharmaceutical raw materials
Tel:86-13126149-050
Email:linda@hbsaisier.cn

1-Hexanol CAS 111-27-3 Food Additives