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About This Item
Linear Formula:
CH3CH2CH(C6H5)CO2H
CAS Number:
Molecular Weight:
164.20
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2045208
Product Name
(R)-(−)-2-Phenylbutyric acid, 99%
InChI
1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m1/s1
SMILES string
CC[C@@H](C(O)=O)c1ccccc1
InChI key
OFJWFSNDPCAWDK-SECBINFHSA-N
assay
99%
optical activity
[α]20/D −93°, c = 0.9 in toluene
bp
102-104 °C/0.4 mmHg (lit.)
density
1.055 g/mL at 25 °C (lit.)
functional group
carboxylic acid
phenyl
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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