3,4-Dimethylacetophenone

C10H12OCAS 3637-01-2148.20 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
Density
1.0042 g/mL (at 20 °C)
Melting point
−3 °C
Boiling point
246.5 °C
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3637-01-2
SMILES
CC(=O)c1ccc(C)c(C)c1
InChIKey
WPRAXAOJIODQJR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanone, 1-(3,4-dimethylphenyl)-
  • Acetophenone, 3′,4′-dimethyl-
  • 1-(3,4-Dimethylphenyl)ethanone
  • 3′,4′-Dimethylacetophenone
  • Methyl 3,4-dimethylphenyl ketone

Work with 3,4-Dimethylacetophenone

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-Fluoro-3-methylacetophenone369-32-467 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-867 % similar 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-167 % similar 4′-Hydroxy-3′-methylacetophenone876-02-867 % similar 4-Acetyl-2-methylbenzoic acid55860-35-063 % similar 3,4-Dimethylbenzamide5580-33-659 % similar 1,4-Diacetylbenzene1009-61-658 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(4-Methylphenyl)propan-2-one2096-86-8 2',3'-Dimethylacetophenone2142-71-4

Elsewhere

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