2,4,6-Trimethylbenzophenone

C₁₆H₁₆OCAS 954-16-5224.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₆O
Molar mass: 224.30 g/mol
Exact mass: 224.1201 Da
Melting point: 35 °C
Boiling point: 326.5–327 °C (at 777 Torr)
logP: 3.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H319 Causes serious eye irritationSerious eye damage/eye irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 606-044-00-2), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number

954-16-5

SMILES

Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1

InChIKey

HPAFOABSQZMTHE-UHFFFAOYSA-N

InChI

InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3

Weigh it out

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

Names and synonyms

7 names

Methanone, phenyl(2,4,6-trimethylphenyl)-
Benzophenone, 2,4,6-trimethyl-
Phenyl(2,4,6-trimethylphenyl)methanone
Mesityl phenyl ketone
Benzoylmesitylene
Phenyl 2,4,6-trimethylphenyl ketone
NSC 26923

Work with 2,4,6-Trimethylbenzophenone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′,4,4′,6,6′-Hexamethylbenzophenone5623-45-068 % similar 2,4-Dimethylbenzophenone1140-14-365 % similar 2,5-Dimethylbenzophenone4044-60-460 % similar 3-Methylbenzophenone643-65-259 % similar 4-Methylbenzophenone134-84-958 % similar 2,3,4,5,6-Pentamethylbenzophenone20386-33-856 % similar 3,4-Dimethylbenzophenone2571-39-356 % similar 2-Methylbenzophenone131-58-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[1,1′-Biphenyl]-4-yl-1-butanone13211-01-3 3-Phenylbutyrophenone1533-20-6 1,2-Diphenylbutan-1-one16282-16-9 α-Cyclopropyl-α-phenylbenzenemethanol5785-66-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook