78240
(S)-3-Phenylbutyric acid
≥99.0% (sum of enantiomers, HPLC)
Synonym(s):
(S)-β-Methylhydrocinnamic acid
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About This Item
Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
Molecular Weight:
164.20
PubChem Substance ID:
UNSPSC Code:
12352002
Beilstein/REAXYS Number:
4663842
MDL number:
Assay:
≥99.0% (sum of enantiomers, HPLC)
Form:
liquid
SMILES string
C[C@@H](CC(O)=O)c1ccccc1
InChI
1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
InChI key
ZZEWMYILWXCRHZ-QMMMGPOBSA-N
assay
≥99.0% (sum of enantiomers, HPLC)
form
liquid
optical activity
[α]20/D +57±2°, c = 1% in benzene
refractive index
n20/D 1.518
bp
94-95 °C/0.3 mmHg (lit.)
density
1.069 g/mL at 20 °C (lit.)
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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