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B13802

Sigma-Aldrich

3-Benzoylpropionic acid

99%

Synonym(s):

4-Oxo-4-phenylbutyric acid

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About This Item

Linear Formula:
C6H5COCH2CH2COOH
CAS Number:
2051-95-8
Molecular Weight:
178.18
Beilstein:
639757
EC Number:
218-135-0
MDL number:
MFCD00002792
UNSPSC Code:
12352100
PubChem Substance ID:
24891586
NACRES:
NA.22

Quality Level

100

Assay

99%

form

crystals

mp

114-117 °C (lit.)

SMILES string

OC(=O)CCC(=O)c1ccccc1

InChI

1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

InChI key

KMQLIDDEQAJAGJ-UHFFFAOYSA-N

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Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBL0766
STBB5256
STBB5256V
S25937
08127DH

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David J Merkler et al.
Bioorganic & medicinal chemistry, 16(23), 10061-10074 (2008-10-28)
Peptidyl alpha-hydroxylating monooxygenase (PHM) functions in vivo towards the biosynthesis of alpha-amidated peptide hormones in mammals and insects. PHM is a potential target for the development of inhibitors as drugs for the treatment of human disease and as insecticides for

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