1-(3,5-Dimethylphenyl)ethan-1-one

HCID 14921

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Basic information

CAS: 1335-42-8
Standard SMILES: CC(=O)c1cc(C)cc(C)c1
InChIKey: BKIHFZLJJUNKMZ-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 1-(3,5-Dimethylphenyl)ethan-1-one
IUPAC: 1-(3,5-dimethylphenyl)ethanone
English name: 1-(dimethylphenyl)ethan-1-one
Molecular formula: C10H12O
Molecular weight: 148.20168

Names & synonyms

1-(3,5-dimethylphenyl)ethan-1-oneEthanone, 1-(dimethylphenyl)-DTXSID80928152EINECS 215-632-4RefChem:422960DTXCID501315162676-296-61-(3,5-dimethylphenyl)ethanone5379-16-83,5-Dimethylacetophenone3',5'-Dimethylacetophenone1335-42-8

Show more names

MFCD010756931-(Dimethylphenyl)ethan-1-oneETHANONE, 1-(3,5-DIMETHYLPHENYL)-SCHEMBL956953',5'-dimethyl acetophenoneAB08165Z608067730?3,5-dimethylacetophenone

Database identifiers

CAS: 1335-42-8、5379-16-8
PubChem CID: 14921
DTXSID: DTXSID80928152
ChEMBL: CHEMBL558696
EC Number: 215-632-4、676-296-6
Nikkaji: J1.453.450D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Physicochemical properties

Cosmetics Ingredients Functions: PERFUMING
LogP: 1.914 · 1.914 (est)
EPA Substance Registry System: 1 · Ethanone, 1-(dimethylphenyl)- (1335-42-8)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.