2,3-Heptanedione

Catalog	ACM96048
CAS	96-04-8
Structure
Synonyms	Acetyl valeryl
IUPAC Name	Heptane-2,3-dione
Molecular Weight	128.17
Molecular Formula	C7H12O2
Canonical SMILES	CCCCC(=O)C(=O)C
InChI	InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
InChI Key	FJPGAMCQJNLTJC-UHFFFAOYSA-N
Boiling Point	64 °C
Melting Point	26.25 °C
Flash Point	105 °F
Purity	95%+
Density	0.92 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water; soluble in alcohol
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Physical State	Liquid
Refractive Index	n20/D 1.415(lit.)
Topological Polar Surface Area	34.1 Ų