3-Methyl-1,2-cyclopentanedione

Catalog	ACM765708
CAS	765-70-8
Structure
Synonyms	2-Hydroxy-5-methyl-2-cyclopenten-1-one
IUPAC Name	3-Methylcyclopentane-1,2-dione
Molecular Weight	112.13
Molecular Formula	C6H8O2
Canonical SMILES	CC1CCC(=O)C1=O
InChI	InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
InChI Key	OACYKCIZDVVNJL-UHFFFAOYSA-N
Boiling Point	170.05 °C
Melting Point	104-108 °C
Flash Point	100 °C
Purity	98%+
Density	1.0795 g/mL at 25 °C(lit.)
Exact Mass	112.052429494
Monoisotopic Mass	112.052429494
Physical State	Crystalline powder
Refractive Index	n20/D 1.455(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	34.1 Ų