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78240

Sigma-Aldrich

(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
Beilstein:
4663842
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:

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.)

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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