2′-Methylacetophenone

C9H10OCAS 577-16-2134.18 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Density
1.023–1.029 g/mL
Melting point
107–108 °C
Boiling point
214 °C
logP
2.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,375 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, P501

Identifiers

CAS number
577-16-2
SMILES
CC(=O)c1ccccc1C
InChIKey
YXWWHNCQZBVZPV-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

17 names · show all
  • Ethanone, 1-(2-methylphenyl)-
  • Acetophenone, 2′-methyl-
  • Acetophenone, o-methyl-
  • 1-(2-Methylphenyl)ethanone
  • o-Methylacetophenone
  • o-Acetyltoluene
  • 2-Acetyltoluene
  • Methyl 2-methylphenyl ketone
  • 2-Methylphenyl methyl ketone
  • Methyl o-tolyl ketone
  • 1-(2-Tolyl)ethanone
  • NSC 84233
  • 1-(o-Tolyl)ethanone
  • 1-(2-Methylphenyl)ethan-1-one
  • (o-Tolyl)ethan-1-one
  • 1-(o-Tolyl)ethan-1-one
  • 2-Methylacetophenone

Work with 2′-Methylacetophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Diacetylbenzene704-00-770 % similar 2',3'-Dimethylacetophenone2142-71-468 % similar 2'-Iodoacetophenone2142-70-361 % similar 2′-Bromoacetophenone2142-69-057 % similar 1-(2,5-Dimethylphenyl)ethanone2142-73-657 % similar 2′,4′-Dimethylacetophenone89-74-757 % similar 2'-Hydroxyacetophenone104809-67-855 % similar o-Toluic acid118-90-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

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