2-Methylacetophenone

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10O
Molecular Weight	134.1751
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=YXWWHNCQZBVZPV-UHFFFAOYSA-N

InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H10O
Molecular Weight	134.1751
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Room-temperature regioselective C-H/olefin coupling of aromatic ketones using an activated ruthenium catalyst with a carbonyl ligand and structural elucidation of key intermediates.	2010-12-22	21114294
A RuH(2)(CO)(PPh(3))(3)-catalyzed regioselective arylation of aromatic ketones with arylboronates via carbon-hydrogen bond cleavage.	2005-04-27	15839693

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:55:27 GMT 2025` Edited by `admin` on `Mon Mar 31 18:55:27 GMT 2025`
Record UNII	23O5EV975S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 4316

Preferred Name

English

2-Methylacetophenone

Systematic Name

English

O-ACETYLTOLUENE

Common Name

English

2-METHYLPHENYL METHYL KETONE

Systematic Name

English

METHYL 2-METHYLPHENYL KETONE

Systematic Name

English

NSC-84233

Code

English

METHYL O-TOLYL KETONE

Common Name

English

ETHANONE, 1-(2-METHYLPHENYL)-

Systematic Name

English

2-ACETYLTOLUENE

Systematic Name

English

2-METHYLACETOPHENONE [FHFI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

2-METHYLACETOPHENONE