Hexyl acetate CAS:142-92-7

  • Product Name:Hexyl acetate
  • CAS:142-92-7
  • Molecular formula:C8H16O2
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Hexyl acetate CAS:142-92-7

Hexyl acetate CAS:142-92-7 Basic information

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;Phy
Mol File: 142-92-7.mol

Hexyl acetate CAS:142-92-7 Chemical Properties

density: 0.87 g/mL at 25 °C(lit.)
Melting point: −80 °C(lit.)
Boiling point: 168-170 °C(lit.)
form: Liquid
storage temp.: 2-8°C
Water Solubility: immiscible
refractive index: n20/D 1.409(lit.)
BRN: 1747138
Fp: 99 °F
solubility: 0.4g/l
NIST Chemistry Reference: Hexyl ethanoate(142-92-7)
vapor pressure: 5 hPa (20 °C)
FEMA: 2565 | HEXYL ACETATE
JECFA Number: 128
Odor Threshold: 0.0018ppm
CAS DataBase Reference: 142-92-7(CAS DataBase Reference)
EPA Substance Registry System: Acetic acid, hexyl ester (142-92-7)

项目

Item

标准要求

Specification

检  验  结  果

Result of analysis

色状

Color shape

无色液体

Colorless liquid

符合

Accord

香 气

Flavor

果香Fruity

符合

Accord

含量(%

ester content%

98.0%

99.41%

相对密度(2525

Relative density2525

0.868-0.872

0.871

折光指数(20℃)

Refractive index20℃)

1.407-1.411

1.410


Hexyl acetate Basic information
Product Name:Hexyl acetate
Synonyms:HEXYLACETATE(SG);Hexylacetat;HEXYLACETATE WITH GC;HEXYL ACETATE, NATURAL;Hexvl acetate;1-Hexylethanoate;1-Hexanol acetate;Acetic acid hexyl
CAS:142-92-7
MF:C8H16O2
MW:144.21
EINECS:205-572-7
Product Categories: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);Pharmaceutical Intermediates
Mol File:142-92-7.mol
Hexyl acetate Structure

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)
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 Threshold0.0018ppm
Water Solubility immiscible
JECFA Number128
BRN 1747138
CAS DataBase Reference142-92-7(CAS DataBase Reference)
NIST Chemistry ReferenceHexyl ethanoate(142-92-7)
EPA Substance Registry SystemAcetic 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 Data142-92-7(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 36100 mg/kg LD50 dermal Rabbit > 5000 mg/kg

MSDS Information
ProviderLanguage
Hexyl acetateEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish

Hexyl acetate Usage And Synthesis
DescriptionHexyl 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 PropertiesHexyl acetate has a pleasant fruity, apple, cherry, pear, floral odor and bittersweet taste suggestive of pear.
Chemical PropertiesHexyl 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 Propertiesclear colorless to pale yellowish liquid
OccurrenceReported 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.
UsesHexyl Acetate is a flavouring agent due to its fruity odor and it is naturally present in many fruits and alcoholic beverages.
DefinitionChEBI: The acetate ester of hexan-1-ol.
Production Methodsn-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 .
PreparationFrom n-hexyl alcohol and excess acetic anhydride at the boil or with an excess of acetic acid in the presence of concentrated sulfuric acid
Aroma threshold valuesDetection: 2 to 480 ppb
Taste threshold valuesTaste 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 DescriptionA 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 ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileHexyl 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.
HazardCombustible.
Health HazardMay be harmful by inhalation, ingestion, or skin absorption. May cause irritation.
Fire HazardSpecial 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.

Hexyl acetate Preparation Products And Raw materials
Raw materialsPotassium carbonate-->1-Hexanol
Preparation ProductsProcaine penicillin G


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