P-Methylacetophenone

C9H10OCAS 122-00-9134.18 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
1.0051 g/mL (at 20 °C)
Melting point
28 °C
Boiling point
226 °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 1,848 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number
122-00-9
SMILES
CC(=O)c1ccc(C)cc1
InChIKey
GNKZMNRKLCTJAY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

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Names and synonyms

19 names · show all
  • Ethanone, 1-(4-methylphenyl)-
  • Acetophenone, 4′-methyl-
  • 1-(4-Methylphenyl)ethanone
  • p-Acetyltoluene
  • Melilotal
  • 4′-Methylacetophenone
  • Methyl p-tolyl ketone
  • 1-Acetyl-4-methylbenzene
  • 4-Methylphenyl methyl ketone
  • p-Tolyl methyl ketone
  • Methyl 4-methylphenyl ketone
  • 1-p-Tolylethanone
  • 1-(4-Methylphenyl)-1-ethanone
  • 4-Acetyltoluene
  • 1-(4-Tolyl)ethanone
  • NSC 9401
  • 4-Methylhypnone
  • 4-Methyl-1-acetylbenzene
  • 1-(p-Tolyl)ethan-1-one

Work with P-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

4-Acetyl-4'-methylbiphenyl5748-38-987 % similar 1,4-Diacetylbenzene1009-61-675 % similar 4,4'-Diacetylbiphenyl787-69-965 % similar 1-(3,5-Dimethylphenyl)ethan-1-one5379-16-860 % similar 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-558 % similar 4,4'-Dimethylbenzophenone611-97-258 % similar Acetophenone98-86-258 % similar 1-(4-Iodophenyl)ethan-1-one13329-40-358 % 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 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6 4-Indanol1641-41-4

Elsewhere

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