1,2-Diacetylethane 2,5-hexanedione

CAS	110-13-4
Structure
Synonyms	Acetonylacetone
IUPAC Name	Hexane-2,5-dione
Molecular Weight	114.14
Canonical SMILES	CC(=O)CCC(=O)C
InChI	InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChI Key	OJVAMHKKJGICOG-UHFFFAOYSA-N
Boiling Point	191 °C
Melting Point	-6--5 °C
Flash Point	174 °F
Purity	95%+
Density	0.973 g/mL at 25 °C(lit.)
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Odor	Sweet aromatic odor
Physical State	Liquid
Refractive Index	n20/D 1.425(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	34.1 Ų