2,5-Dimethylphenylacetone

Catalog	ACM53291897
CAS	53291-89-7
Structure
Synonyms	2-Toloylacetone
IUPAC Name	1-(2,5-Dimethylphenyl)propan-2-one
Molecular Weight	162.23
Molecular Formula	C11H14O
Canonical SMILES	CC1=CC(=C(C=C1)C)CC(=O)C
InChI	InChI=1S/C11H14O/c1-8-4-5-9(2)11(6-8)7-10(3)12/h4-6H,7H2,1-3H3
InChI Key	XHEUPKZIPXSSLU-UHFFFAOYSA-N
Boiling Point	244.5ºC at 760mmHg
Flash Point	104.7ºC
Purity	95%+
Density	0.963g/cm³
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Ų