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3-Phenylbutanoic acid
[CAS# 772-15-6]

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Identification
Name 3-Phenylbutanoic acid
Synonyms (R)-3-Phenylbutyric acid; (S)-3-PHENYLBUTYRIC ACID; 3-Phenylbutanoic acid #
Molecular Structure CAS#: 772-15-6, 3-Phenylbutanoic acid
Molecular Formula C10H12O2
Molecular Weight 164.20
CAS Registry Number 772-15-6
SMILES CC(CC(=O)O)C1=CC=CC=C1
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 ZZEWMYILWXCRHZ-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
Melting point 36-40°C (Expl.)
Boiling point 287.969°C at 760 mmHg (Cal.)
159-161°C (Expl.)
Flash point 110°C (Expl.)
170.2±13.9°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description IRRITANT
IRRITANT
WARNING: Irritates lungs, eyes, skin
SDS Available
Market Analysis Reports
List of Reports Available for 3-Phenylbutanoic acid
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