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Ethyl 3-hexenoate

Ethyl 3-hexenoate structure

Ethyl 3-hexenoate 

structure
  • CAS No:

    2396-83-0

  • Formula:

    C8H14O2

  • Chemical Name:

    Ethyl 3-hexenoate

  • Synonyms:

    3-Hexenoic acid,ethyl ester;Hydrosorbic acid,ethyl ester;Ethyl 3-hexenoate

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

Ethyl 3-hexenoate has a green, fruity aroma.

Ethyl 3-hexenoate Basic Attributes

142.2

142.20

219-257-7

DTXSID2062377

2916190090

Characteristics

26.3

1.9

colourless liquid

0.9±0.1 g/cm3

-56ºC

166.5 °C

139 °F

1.433

Keep container tightly sealed. Store in cool, dry conditions in well sealed containers.

1.55mmHg at 25°C

Safety Information

3

UN 3272 3/PG 3

3

36/37/38-10

26-36/37/39-24/25

Xi

Irritant

Decomposition will not occur if used and stored according to specifications.

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

H226

Ethyl 3-hexenoate Use and Manufacturing

Methods of Manufacturing

It is composed of 3-hexenoic acid and dicyclohexylcarbodiimide. It is obtained by fermentation of 3-hexenoic acid with beer yeast at 20°C.

Uses

GB 2760-1996 stipulates the permitted food spices.

3-Hexenoic acid, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:142.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:116
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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