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
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 | n |
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) |
Flame Flammables GHS02 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
Abamectin manufacturer
Arpan Aromatics
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