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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

Quality Level

100

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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A generic chiral separation strategy for the analysis of acidic compounds in CEC is proposed in completion of an earlier defined strategy for nonacidic compounds. The screening step of this strategy uses a 45 mM ammonium formate (pH 2.9)/ACN (35/65

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