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Phenylethyl valerate

Phenylethyl valerate structure

Phenylethyl valerate 

structure
  • CAS No:

    7460-74-4

  • Formula:

    C13H18O2

  • Chemical Name:

    Phenylethyl valerate

  • Synonyms:

    Pentanoic acid,2-phenylethyl ester;Valeric acid,phenethyl ester;Phenylethyl valerate;2-Phenethyl pentanoate;Phenethyl valerate;2-Phenylethyl pentanoate;2-Phenylethyl valerate;NSC 404213

Description

ChEBI: A fatty acid ester obtained by the formal condensation of 2-phenylethanol with valeric acid.


2-phenylethyl pentanoate is a fatty acid ester obtained by the formal condensation of 2-phenylethanol with valeric acid. It derives from a valeric acid and a 2-phenylethanol.

Phenylethyl valerate Basic Attributes

206.28100

206.28

231-246-9

ZXI2952JET

404213

DTXSID9064712

2915600000

Characteristics

26.30000

2.96250

0.9864 g/cm3 @ Temp: 20 °C

138-139 °C @ Press: 10 Torr

111.8ºC

14.26 mg/L @ 25 °C (est)

Phenylethyl valerate Use and Manufacturing

Pentanoic acid, 2-phenylethyl ester: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:206.28
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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