3-Phenylbutyric acid
CAS Registry Number®
4593-90-2
CAS Name
3-Phenylbutyric acidMolecular Formula
C10H12O2Molecular Mass
164.20Cite this Page
3-Phenylbutyric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=772-17-8 (retrieved ) (CAS RN: 4593-90-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
172-710 °CMelting Point (1)
37-39 °CDensity (2)
1.067 g/cm³ @ Temp: 16.2 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Konno, Koji; Nippon Kagaku Zasshi, (1964), 85(8), 497-500, CAplus
Other Names and Identifiers
InChI
InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKey
InChIKey=ZZEWMYILWXCRHZ-UHFFFAOYSA-N
SMILES
C(CC(O)=O)(C)C1=CC=CC=C1
Canonical SMILES
O=C(O)CC(C=1C=CC=CC1)C
Other Names for this Substance
- Benzenepropanoic acid, β-methyl-
- Hydrocinnamic acid, β-methyl-
- β-Methylbenzenepropanoic acid
- β-Methylhydrocinnamic acid
- 3-Phenylbutanoic acid
Deleted or Replaced CAS Registry Numbers
772-17-8
