3-Phenylpropyl isobutyrate
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3-Phenylpropyl isobutyrate
structure -
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CAS No:
103-58-2
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Formula:
C13H18O2
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Chemical Name:
3-Phenylpropyl isobutyrate
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Synonyms:
Propanoic acid,2-methyl-,3-phenylpropyl ester;Isobutyric acid,3-phenylpropyl ester;1-Propanol,3-phenyl-,isobutyrate;3-Phenylpropyl isobutyrate;Hydrocinnamyl isobutyrate;NSC 404455;NSC 6039;3-Phenylpropyl 2-methylpropanoate
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CAS No:
3-Phenylpropyl isobutyrate Basic Attributes
206.28100
206.28
203-125-0
Y9O48YFN18
404455|6039
DTXSID7059276
2915900090
Characteristics
26.30000
2.81840
Colourless liquid, fruity-balsamic sweet odour
0.979 g/mL at 25ºC(lit.)
-60ºC
291.6ºC at 760 mmHg
114.5ºC
n20/D 1.486(lit.)
insoluble in water; soluble in oils
0.00193mmHg at 25°C
3-Phenylpropyl isobutyrate Use and Manufacturing
Propanoic acid, 2-methyl-, 3-phenylpropyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:206.28
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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