78240

(S)-3-Phenylbutyric acid

≥99.0% (sum of enantiomers, HPLC)

• Synonym(s): (S)-β-Methylhydrocinnamic acid
• Empirical Formula (Hill Notation): C₁₀H₁₂O₂
• CAS Number: 772-15-6
• Molecular Weight: 164.20
• Beilstein: 4663842
• MDL number: MFCD00077842
• UNSPSC Code: 12352002
• PubChem Substance ID: 57652735

Properties

• 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

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves