Hexyl acetate Chemical Properties

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)

FEMA 

2565 | HEXYL ACETATE

refractive index 

n20/D 1.409(lit.)

Flash point:

99 °F

storage temp. 

Store below +30°C.

solubility 

0.4g/l

form 

Liquid

color 

Clear colorless to pale yellow

Odor

at 10.00 % in dipropylene glycol. fruity green apple banana sweet

Odor Type

fruity

Odor Threshold

0.0018ppm

Water Solubility 

immiscible

JECFA Number

128

BRN 

1747138

Dielectric constant

4.4199999999999999

LogP

3.3 at 30℃

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)

Safety Information

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

MSDS

• Language:English Provider:Hexyl acetate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Hexyl acetate Usage And Synthesis

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

clear colorless to pale yellowish liquid

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

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

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

n-Hexyl acetate exhibits antimicrobial activity and can be used to improve the safety of minimally processed fruits. It is a fruity smelling fluid used as flavoring agent or in perfumes. It is a green leaf volatile from cabbage Brassica oleracea var. capitata L. It is used as plasticizers.

Uses

Hexyl acetate was used to study the activity of diamondback moth sex pheromone and larval frass volatiles, as well as green leaf volatiles from cabbage, on the natural enemies of the pest.

Uses

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

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 concentrated sulfuric acid

Definition

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

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.

Synthesis Reference(s)

Tetrahedron Letters, 18, p. 3263, 1977 DOI: 10.1016/S0040-4039(01)83213-5

General Description

A colorless liquid with a mild sweet odor. Flash point 113°F. A moderate fire risk. Inhalation may cause adverse effects. Almost insoluble in water, soluble in alcohol and Propylene glycol, miscible with oils. 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.

Flammability and Explosibility

Flammable

Biochem/physiol Actions

Hexyl acetate has antimicrobial activity and can be used to improve the safety of minimally processed fruits. Hexyl acetate is a fruity smelling fluid used as flavoring agent or in perfumes. Hexyl acetate is a green leaf volatile from cabbage Brassica oleracea var. capitata L.

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