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253839

Sigma-Aldrich

3-Acetylbenzoic acid

98%

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About This Item

Linear Formula:
CH3COC6H4CO2H
CAS Number:
586-42-5
Molecular Weight:
164.16
MDL number:
MFCD00045847
UNSPSC Code:
12352100
PubChem Substance ID:
24855333
NACRES:
NA.22

Quality Level

100

assay

98%

mp

169-171 °C (lit.)

functional group

carboxylic acid
ketone

SMILES string

CC(=O)c1cccc(c1)C(O)=O

InChI

1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)

InChI key

CHZPJUSFUDUEMZ-UHFFFAOYSA-N

Related Categories

Application

3-Acetylbenzoic acid has been used in preparation of 3-(2-hydroxyethyl)benzyl alcohol and methyl 3-acetylbenzoate.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
06828TD
U17582
05905MC
18805AO
10327BC

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