5,5-Dimethyl-1,3-cyclohexanedione

Catalog	ACM126818
CAS	126-81-8
Structure
Synonyms	Dimedone
IUPAC Name	5,5-Dimethylcyclohexane-1,3-dione
Molecular Weight	140.18
Molecular Formula	C8H12O2
Canonical SMILES	CC1(CC(=O)CC(=O)C1)C
InChI	InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChI Key	BADXJIPKFRBFOT-UHFFFAOYSA-N
Boiling Point	216.69 °C
Melting Point	146-148 °C
Purity	98%+
Density	1.0373 g/mL at 25 °C(lit.)
Exact Mass	140.083729621
Monoisotopic Mass	140.083729621
Physical State	Liquid
Refractive Index	n20/D 1.4787(lit.)
Storage Conditions	Dark place,inert atmosphere,Room Temperature
Topological Polar Surface Area	34.1 Ų