cis-3-Hexenyl butanoate
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cis-3-Hexenyl butanoate
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CAS No:
16491-36-4
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Formula:
C10H18O2
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Chemical Name:
cis-3-Hexenyl butanoate
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Synonyms:
Butanoic acid,(3Z)-3-hexen-1-yl ester;Butyric acid,3-hexenyl ester,(Z)-;Butanoic acid,3-hexenyl ester,(Z)-;Butanoic acid,(3Z)-3-hexenyl ester;cis-3-Hexenyl butyrate;cis-3-Hexenyl butanoate;cis-Hex-3-en-1-yl butyrate;(Z)-3-Hexen-1-yl butyrate;(Z)-3-Hexenyl butanoate;(Z)-3-Hexenyl butyrate;(Z)-3-Hexen-1-ol butanoate;(3Z)-Hexenyl butyrate;(3Z)-Hexenyl butanoate;Pipol Butyrate
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CAS No:
Description
cis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma. Colorless to pale yellow liquidcis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma. May be synthesized by esterification of cis-3-hexenol with n-butyric acid under azeotropic conditions.
colourless to pale yellow liquid with a green, fruity, buttery odour
Cis-3-hexenyl butyrate is a fatty acid ester.
Characteristics
26.3
2.7
clear colorless liquid
0.885 g/mL at 25 °C(lit.)
96 °C @ Press: 20 Torr
174 °F
n 20/D 1.431(lit.)
very slightly|soluble in alcohol, propylene glycol; miscible with most fixed oils; insoluble in water
0.135mmHg at 25°C
cis-3-Hexenyl butanoate Use and Manufacturing
It is formed by direct esterification of cis-3-hexenol and n-butyric acid under azeotropic conditions.
GB 2760 1996 stipulates food spices that are temporarily allowed to be used. Used in flavors such as strawberry, apple, pear, tropical fruit, citrus, etc.
Butanoic acid, (3Z)-3-hexen-1-yl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:170.25
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:139
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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