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HomeProduct name listHexyl acetate

Hexyl acetate

Synonym(s):Acetic acid hexyl ester;Capryl acetate;Hexyl acetate

  • CAS NO.:142-92-7
  • Empirical Formula: C8H16O2
  • Molecular Weight: 144.21
  • MDL number: MFCD00009524
  • EINECS: 205-572-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-28 16:31:44
Hexyl acetate Structural

What is Hexyl acetate?

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.

The Uses of Hexyl acetate

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

The Uses of Hexyl acetate

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.

The Uses of Hexyl acetate

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.

What are the applications of Application

Hexyl acetate is an antimicrobial

Definition

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

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

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 .

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.

Properties of Hexyl acetate

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 Threshold 0.0018ppm
Water Solubility  immiscible
JECFA Number 128
BRN  1747138
Dielectric constant 4.4199999999999999
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 for Hexyl acetate

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Environment
GHS09
GHS Hazard Statements H226:Flammable liquids
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P273:Avoid release to the environment.

Computed Descriptors for Hexyl acetate

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