3,4-Diacetyl-2,5-hexanedione

Catalog Number	ACM5027327-1
CAS	5027-32-7
Structure
Synonyms	1,1,2,2-Tetraacetylethane
IUPAC Name	3,4-diacetylhexane-2,5-dione
Molecular Weight	198.22
Molecular Formula	C10H14O4
Canonical SMILES	CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C
InChI	CSKRBHOAJUMOKJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C10H14O4/c1-5(11)9(6(2)12)10(7(3)13)8(4)14/h9-10H,1-4H3
Boiling Point	122 °C at 18 mmHg(lit.)
Melting Point	191-195 °C
Flash Point	146.9ºC
Purity	97%
Density	1.084±0.06 g/cm3(Predicted)
Appearance	Solid
EC Number	225-718-3
Exact Mass	198.08900
Isomeric SMILES	CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C