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Α-Isomethyl Ionone

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α-Isomethyl Ionone / CAS : 127-51-5

Appearance liquid UN -
HS 29142990 DG Class -
Synonyms Alpha-Iso-Methylionone; α-Iso-Methylionone; A-Isomethylionone; Cetone Alpha; α-Isomethylionone; (±)-α-Isomethyl Ionone; 3-Methyl-4-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)-3-Buten-2-One; Isonaline 70; 3-Methyl-4-(2,6,6-Trimethylcyclohex-2-En-1-Yl)But-3-En-2-One; 3-Methyl-Alpha-Ionone; (E)-3-Methyl-4-(2,6,6-Trimethylcyclohex-2-En-1-Yl)But-3-En-2-One
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Properties

Summary

Formula
C14H22O
Molecular Mass
206.32400
Exact Mass
206.16700
PSA
17.07000
Logp
3.90420
IUPAC
(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
SMILES
CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C

Attribute classification

Matter Classification
organic
Category
Food(Feed) Additives > Food Additive
Cosmetics > Cosmetic Raw Materials
Flavors and Fragrances > Essence
Flavors and Fragrances > Spice

Chemical and Physical Properties

Density
0.93 g/mL
Boiling Point
285.3ºC
Flash Point
122.1ºC
Appearance
liquid
Acidity and Basicity
neutral

Export information

HS Code
29142990
Export Rebate
13
Risk Code
R43
Safety Label
Xi

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