Acetyl diisoamylene

Catalog	ACM81786734
CAS	81786-73-4
Structure
Synonyms	Mulantone (koavone)
IUPAC Name	(Z)-3,4,5,6,6-Pentamethylhept-3-en-2-one
Molecular Weight	182.3
Molecular Formula	C12H22O
Canonical SMILES	CC(C(=C(C)C(=O)C)C)C(C)(C)C
InChI	InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-
InChI Key	IXIYWQIFBRZMNR-HJWRWDBZSA-N
Boiling Point	246 °C
Flash Point	100 °C
Purity	95%+
Density	0.838 g/mL at 20 °C(lit.)
Exact Mass	182.167065321
Isomeric SMILES	CC(/C(=C(/C)\C(=O)C)/C)C(C)(C)C
Monoisotopic Mass	182.167065321
Physical State	Liquid
Refractive Index	n20/D 1.453-1.458(lit.)
Topological Polar Surface Area	17.1 Ų