4-Acetyl-2-Methylbenzoic Acid

Synonyms in English

4-acetyl-2-methylbenzoicacid;Fluralaner-001;Benzoicacid,4-acetyl-2-methyl-;
4-acetyl-2-methylbenzoicacidISOChemicalbook9001：2015REACH;Fluralanerintermediate;
2-methyl-4-acetyl-enzoicacid;FluralanerImpurity27;FlurellanaImpurity1

CAS number

55860-35-0

Molecular formula

C10H1003

Molecular weight

178.18

EINECS number

856-079-4

Boiling point

352.7±30.0℃(Predicted)

Density

1.189±0.06 g/cm3(Predicted)

Vapor pressure

0Pa at 20℃

Storage conditions

2-8℃,protect from light

Acidity coefficient (pKa)

3.25±0.25(Predicted)

Appearance

White to yellow solid

InChl

InChl=1S/C10H1003/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5H,1-2H3,(H,12,13)

InChlKey

QGXDUDDPMXVLOO-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(C(C)=O)C=C1C

LogP

-2.5-0.14 at 20℃ and pH5-8.9

Surface tension

63.7mN/m at 860mg/L and 20℃

Dissociation constant

3.03 at 20℃

Applications

2-Methyl-4-acetylbenzoic acid can be used as an organic synthesis intermediate and a pharmaceutical intermediate,
mainly used in laboratory research and development processes and chemical production processes.

Upstream raw materials

1,2-bis(2-methylphenyl)acetylene, 4-acetyl-2-methylbenzonitrile, 4'-bromo-3'-methylacetophenone, (2-methylbenzyl)triphenylphosphonium bromide,
4-fluoro-3-methylacetophenone, 4-bromo-2-methylbenzoic acid, vinyl n-butyl ether, 2-fluorotoluene

5-acetyl-2-fluorobenzoic acid