2-Phenylethyl isobutyrate
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2-Phenylethyl isobutyrate
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CAS No:
103-48-0
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Formula:
C12H16O2
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Chemical Name:
2-Phenylethyl isobutyrate
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Synonyms:
Propanoic acid,2-methyl-,2-phenylethyl ester;Isobutyric acid,phenethyl ester;Benzylcarbinyl isobutyrate;Phenethyl isobutyrate;2-Phenylethyl isobutyrate;β-Phenylethyl isobutyrate;Benzylcarbinol isobutyrate;2-Phenylethyl 2-methylpropionate;2-Phenylethyl 2-methylpropanoate;β-Phenylethyl 2-methylpropionate;Phenethyl 2-methylpropionate;β-Phenethyl isobutyrate;β-Phenylethyl butanoate;2-Methylpropanoic acid 2-phenylethyl ester
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CAS No:
Description
Liquid|Colourless to slighty yellow liquid; fruity-rosy odour
Phenethyl isobutyrate is a carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid. It has a role as a metabolite. It derives from a 2-phenylethanol and an isobutyric acid.
2-Phenylethyl isobutyrate Basic Attributes
192.25
192.25
203-116-1
QRZ4RE7DCL
DTXSID7044764
2915900090
Characteristics
26.3
3.18
Liquid
0.9871 g/cm3 @ Temp: 20 °C
70-71 °C @ Press: 0.5 Torr
227 °F
1.495
Insoluble in water; soluble in oils
0.00994mmHg at 25°C
2-Phenylethyl isobutyrate Use and Manufacturing
It is formed by esterification of phenethyl alcohol and isobutyrate.
GB 2760-1996 stipulates the allowable spices. Mainly used to prepare pineapple, strawberry, green plum, assorted fruits and jasmine flavors and wine flavors.
Air care products
< 25,000 lb
Propanoic acid, 2-methyl-, 2-phenylethyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:192.25
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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