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P20955

Sigma-Aldrich

2-Phenylbutyric acid

98%

Synonym(s):

(±)-2-Phenylbutyric acid, α-Ethylphenylacetic acid

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About This Item

Linear Formula:
CH3CH2CH(C6H5)COOH
CAS Number:
90-27-7
Molecular Weight:
164.20
Beilstein/REAXYS Number:
509876
EC Number:
201-982-5
MDL number:
MFCD00002667
UNSPSC Code:
12352100
PubChem Substance ID:
24898271
NACRES:
NA.22

assay

98%

form

crystals

bp

270-272 °C (lit.)

mp

39-42 °C (lit.)

SMILES string

CCC(C(O)=O)c1ccccc1

InChI

1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

InChI key

OFJWFSNDPCAWDK-UHFFFAOYSA-N

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Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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