(R)-3-Phenylbutyric acid

HCID 852992CAS 772-14-5

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Basic information

Standard SMILES: C[C@H](CC(=O)O)c1ccccc1
InChIKey: ZZEWMYILWXCRHZ-MRVPVSSYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol

Names & identifiers

Preferred name: (R)-3-Phenylbutyric acid
English name: (R)-3-Phenylbutyric acid
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

(R)-3-Phenylbutanoic acid(3R)-3-Phenylbutanoic acid(R)-3-Phenylbutyric acid(3R)-3-Phenylbutyric acid(R)-2-Benzylpropanoic acid(R)-3-Phenylbutyric Acid ee[R,(-)]-2-Benzylpropionic acid(r)-β-methylhydrocinnamic acid(R)-3-Phenylbutyric acid(R)-BETA-METHYLHYDROCINNAMIC ACID

Database identifiers

CAS: 772-14-5
PubChem CID: 852992
EC Number: 822-548-7
Nikkaji: J70.851H

Properties

Physicochemical properties

Boiling point: 94 · 94-95 °C/0.3 mmHg (lit.)
Density: 1.069 g/mL · 1.069 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.517
storage temp.: Store at room temperature
pka: 4.67 · 4.67±0.10(Predicted)
form: liquid
Appearance: Colorless to light yellow Liquid
optical activity: 20 · [α]20/D 57±2°, c = 1% in benzene
BRN: 2501477 · 2501477
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-/m1/s1
InChIKey: ZZEWMYILWXCRHZ-MRVPVSSYSA-N
SMILES: C[C@H](CC(O)=O)c1ccccc1
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
PPE: Eyeshields, Gloves
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362