3,5-Dimethyl-1,2-cyclopentanedione

Catalog	ACM13494070
CAS	13494-07-0
Structure
Synonyms	2-Cyclopentanedione,3,5-dimethyl-1
IUPAC Name	3,5-Dimethylcyclopentane-1,2-dione
Molecular Weight	126.15
Molecular Formula	C7H10O2
Canonical SMILES	CC1CC(C(=O)C1=O)C
InChI	InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChI Key	MIDXCONKKJTLDX-UHFFFAOYSA-N
Boiling Point	187.4±9.0 °C
Melting Point	87-95 °C
Purity	95%+
Density	1.036±0.06 g/cm³
Solubility	Insoluble in water
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Odor	Odor of burnt sugar
Physical State	Liquid
Topological Polar Surface Area	34.1 Ų