CAS Registry Number®
90-27-7
CAS Name
2-Phenylbutyric acid
Molecular Formula
C10H12O2
Molecular Mass
164.20
Compound Properties
-
Boiling Point (1)
271 °C
-
Melting Point (1)
47.5 °C
-
Density (2)
1.066 g/cm³ @ Temp: 26 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Levene, P. A.; Journal of Biological Chemistry, (1931), 93, 749-74, CAplus
Other Names and Identifiers
InChI
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChIKey
InChIKey=OFJWFSNDPCAWDK-UHFFFAOYSA-N
SMILES
C(C(O)=O)(CC)C1=CC=CC=C1
Canonical SMILES
O=C(O)C(C=1C=CC=CC1)CC
Other Names for this Substance
- Benzeneacetic acid, α-ethyl-
- Butyric acid, 2-phenyl-
- α-Ethylbenzeneacetic acid
- α-Ethyl-α-toluic acid
- α-Phenylbutyric acid
Deleted or Replaced CAS Registry Numbers
7782-29-8, 14375-30-5
