ChemicalBook--->CAS DataBase List--->699-91-2

699-91-2

699-91-2 Structure

699-91-2 Structure
IdentificationBack Directory
[Name]

NSC 46633
[CAS]

699-91-2
[Synonyms]

NSC 46633
2-Acetyl-6-methylphenol
2'-Hydroxy-3'-methylacetophenone
1-(2-Hydroxy-3-methylphenyl)ethanone
Ethanone, 1-(2-hydroxy-3-Methylphenyl)-
1-(2-hydroxy-3-Methylphenyl)ethan-1-one
1-(2-Hydroxy-3-methylphenyl)ethan-1-one, 2-Acetyl-6-methylphenol, 3-Acetyl-2-hydroxytoluene
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD07425673
[MOL File]

699-91-2.mol
[Molecular Weight]

150.17
Chemical PropertiesBack Directory
[Boiling point ]

238℃
[density ]

1.106
[Fp ]

97℃
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

10.51±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS02,GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302-H315-H318-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2914390090
Hazard InformationBack Directory
[Uses]

2-Acetyl-6-methylphenol is used to prepare (hydroxyphenyl)(piperidinyl)pyridines as IκB kinase β inhibitors and orally active anti-inflammatory agents.
[Preparation]

Preparation by reaction of acetic acid on o-cresol with zinc chloride at reflux (Nencki reaction) (20%).
[References]

[1] Patent: US2014/349990, 2014, A1. Location in patent: Paragraph 0739; 0740
[2] Patent: WO2014/191896, 2014, A1. Location in patent: Page/Page column 147
[3] Organic and Biomolecular Chemistry, 2015, vol. 13, # 36, p. 9418 - 9426
[4] Patent: WO2014/191894, 2014, A1. Location in patent: Page/Page column 104; 105
Spectrum DetailBack Directory
[Spectrum Detail]

NSC 46633(699-91-2)1HNMR
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