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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:
509876
EC Number:
201-982-5
MDL number:
MFCD00002667
UNSPSC Code:
12352100
PubChem Substance ID:
24898271
NACRES:
NA.22

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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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF4356V
WXBD7978V
WXBD9116V
WXBD6027V
1395071

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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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