Phenylmethyl 4-oxopentanoate
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Phenylmethyl 4-oxopentanoate
structure -
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CAS No:
6939-75-9
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Formula:
C12H14O3
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Chemical Name:
Phenylmethyl 4-oxopentanoate
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Synonyms:
Pentanoic acid,4-oxo-,phenylmethyl ester;Phenylmethyl 4-oxopentanoate;Benzyl levulinate;NSC 406336;NSC 57643;Benzyl 4-oxopentanoate
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CAS No:
Phenylmethyl 4-oxopentanoate Basic Attributes
206.24
206.24
230-075-7
AM34X4Q295
406336|57643
DTXSID90219508
2918300090
Characteristics
43.4
2.09900
Viscous oil to waxy solid; Strong fruity aroma
1.0935 g/cm3 @ Temp: 20 °C
123-124 °C
181-183 °C
138.3ºC
1.506
Practically insoluble or insoluble in water
Phenylmethyl 4-oxopentanoate Use and Manufacturing
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents
Computed Properties
Molecular Weight:206.24
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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