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Merck
CN

P20955

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

Key Documents

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Product Name

2-Phenylbutyric acid, 98%

InChI key

OFJWFSNDPCAWDK-UHFFFAOYSA-N

InChI

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

SMILES string

CCC(C(O)=O)c1ccccc1

assay

98%

form

crystals

bp

270-272 °C (lit.)

mp

39-42 °C (lit.)

Quality Level

100

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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

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

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF6255V
WXBF4356V
WXBD7978V
WXBD9116V
WXBD6027V

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Jin A Cho et al.
PloS one, 9(11), e110086-e110086 (2014-11-08)
Dystonia is a neurological disorder in which sustained muscle contractions induce twisting and repetitive movements or abnormal posturing. DYT1 early-onset primary dystonia is the most common form of hereditary dystonia and is caused by deletion of a glutamic acid residue
Burkhard Lehner et al.
BMC cancer, 14, 495-495 (2014-07-10)
Growing evidence exists that the neoplastic stromal cell population (GCTSC) within giant cell tumors (GCT) originates from mesenchymal stem cells (MSC). In a previous study we identified a microRNA signature that differentiates between these cell types. Five differentially expressed microRNAs
Dima Albals et al.
Electrophoresis, 35(19), 2807-2818 (2014-07-02)
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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