2-Phenylbutyric acid
CAS Registry Number®
90-27-7
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CAS Name
2-Phenylbutyric acidMolecular Formula
C10H12O2Molecular Mass
164.20Cite this Page
2-Phenylbutyric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=90-27-7 (retrieved ) (CAS RN: 90-27-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
271 °CMelting Point (1)
47.5 °CDensity (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
