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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 852992Generated: October 23, 2026

(3R)-3-phenylbutanoic acid

(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

https://huagongshe.com/en/chemical/852992

(3R)-3-phenylbutanoic acid molecular structure

Identifiers & Physical Properties

CAS No.772-14-5
Molecular formulaC10H12O2
Average molar mass164.2 g/mol
SMILESC[C@H](CC(=O)O)c1ccccc1
InChIKeyZZEWMYILWXCRHZ-MRVPVSSYSA-N
PubChem CID852992
EC No.822-548-7

Chemical & Physical Properties

XLogP2.2
Topological polar surface area37.3
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds3
Heavy atoms12
Formal charge0
Complexity148
Boiling point94-95 °C/0.3 mmHg (lit.)
Density1.069 g/mL at 20 °C (lit.)
Refractive indexn20/D 1.517
Storage conditionsStore at room temperature
pKa (acidity coefficient)4.67±0.10(Predicted)
Physical stateliquid
AppearanceColorless to light yellow Liquid
optical activity[α]20/D 57±2°, c = 1% in benzene
BRN2501477
InChI1S/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
InChIKeyZZEWMYILWXCRHZ-MRVPVSSYSA-N
SMILESC[C@H](CC(O)=O)c1ccccc1
UNSPSC Code12352002
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H319-H315-H335
GHS precautionary statementsP264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Personal protective equipment (PPE)Eyeshields, Gloves
Safety statements (S)23-24/25
Water hazard class (WGK)3
Storage class10 - Combustible liquids

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Personal protective equipment (PPE)Eyeshields, Gloves
Water hazard class (WGK)3
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)23-24/25
Storage class10 - Combustible liquids
GHS hazard statementsH302-H319-H315-H335
GHS precautionary statementsP264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362