Acetyl diisoamylene

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Catalog Number
ACM81786734
Product Name
Acetyl diisoamylene
Structure
Structure
CAS
81786-73-4
Category
Heterocyclic Organic Compound
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
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
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