Hexyl Acetate

Product Name:

Hexyl acetate

Synonyms:

C2;CAPROYL ACETATE;CAPRYL ACETATE;FEMA 2565;HEXANYL ACETATE;HEXYL ACETATE;HEXYL ETHANOATE;1-ACETOXY-HEXANE

CAS:

142-92-7

MF:

C8H16O2

MW:

144.21

EINECS:

205-572-7

Product Categories:

Pharmaceutical Intermediates;Alcohol Acetates;Biochemicals and Reagents;Building Blocks;C8 to C9;Carbonyl Compounds;Chamaemelum nobile (Chamomile tea);Chemical Synthesis;Esters;Fatty Acyls;Fatty Esters;Lipids;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb)

Mol File:

142-92-7.mol

Melting point 

−80 °C(lit.)

Boiling point 

168-170 °C(lit.)

density 

0.87 g/mL at 25 °C(lit.)

vapor pressure 

5 hPa (20 °C)

refractive index 

n20/D 1.409(lit.)

FEMA 

2565 | HEXYL ACETATE

Fp 

99 °F

storage temp. 

2-8°C

solubility 

0.4g/l

form 

Liquid

color 

Clear colorless to pale yellow

Odor Threshold

0.0018ppm

Water Solubility 

immiscible

JECFA Number

128

BRN 

1747138

CAS DataBase Reference

142-92-7(CAS DataBase Reference)

NIST Chemistry Reference

Hexyl ethanoate(142-92-7)

EPA Substance Registry System

Acetic acid, hexyl ester (142-92-7)

Risk Statements 

10

Safety Statements 

16

RIDADR 

UN 3272 3/PG 3

WGK Germany 

1

RTECS 

AI0875000

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29153990

Hazardous Substances Data

142-92-7(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 36100 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Description

Hexyl acetate has a pleasant fruity odor and bittersweet taste suggestive of pear. May be synthesized from n-hexyl alcohol and excess acetic anhydride at the boil or with an excess of acetic acid in the presence of concentrated sulfuric acid.

Chemical Properties

Hexyl acetate has a pleasant fruity, apple, cherry, pear, floral odor and bittersweet taste suggestive of pear.

Chemical Properties

Hexyl Acetate is a liquid with a sweet-fruity, pear-like odor. It is present in a number of fruits and alcoholic beverages and is used in fruit aroma compositions.

Chemical Properties

clear colorless to pale yellowish liquid

Occurrence

Reported found in fruital aromas (e.g., Fragaria vesca) and essential oils. Also reported found in apple, apricot, banana, sweet cherry, citrus peel oils and juices, blueberry, black currants, guava, grapes, melon, peach, pear, raspberry, blackberry, strawberry, peas, sauerkraut, rye bread, cheeses, roasted beef, beer, rum, cognac, whiskies, cider, sherry, grape wines, coffee, tea, soybean, olive, passion fruit, beans, starfruit, mango, cauliflower, pear and apple brandy, quince, origanum, lovage leaf, corn oil, mangosteen (Garcia mangostana), Bourbon vanilla, clary sage, nectarine, naranjilla fruit, Chinese quince and chamomile oil.

Uses

Hexyl Acetate is a flavouring agent due to its fruity odor and it is naturally present in many fruits and alcoholic beverages.

Definition

ChEBI: The acetate ester of hexan-1-ol.

Production Methods

n-Hexyl acetate is prepared from n-hexyl alcohol and excess acetic anhydride or with an excess of acetic acid and concentrated sulfuric acid . Its is also prepared from primary and sec-hexyl alcohols .
It is produced by Aldrich Chemical Corp., Milwaukee, WI, and Penta Manufacturing Co., Fairfield, NJ .

Production Methods

n-Hexyl acetate is prepared from n-hexyl alcohol and excess acetic anhydride or with an excess of acetic acid and concentrated sulfuric acid. Its is also prepared from primary and sec-hexyl alcohols.
It is produced by Aldrich Chemical Corp., Milwaukee, WI, and Penta Manufacturing Co., Fairfield, NJ.

Preparation

From n-hexyl alcohol and excess acetic anhydride at the boil or with an excess of acetic acid in the presence of concen[1]trated sulfuric acid

Aroma threshold values

Detection: 2 to 480 ppb

Taste threshold values

Taste characteristics at 15 ppm: fruity, green, fresh, sweet, banana peel, apple and pear.

General Description

A colorless liquid with a mild sweet odor. Flash point 113°F. A moderate fire risk. Inhalation may cause adverse effects. Insoluble in water and very soluble in alcohols and ethers. When heated to high temperatures emits acrid smoke and fumes. Used as a solvent and as a propellant in aerosols.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Hexyl acetate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Hazard

Combustible.

Health Hazard

May be harmful by inhalation, ingestion, or skin absorption. May cause irritation.

Fire Hazard

Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. Container explosion may occur under fire conditions. Forms explosive mixtures in air.

Preparation Products

Procaine penicillin G

Raw materials

Potassium carbonate-->Hexyl alcohol