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Β-Ionone

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β-Ionone / CAS : 79-77-6

Appearance Light yellow liquid UN 30829
HS 29142300 DG Class 9
Synonyms 4-(2,6,6-Trimethyl-1-Cyclohexenyl)-3-Buten-2-One; Ionone,B; 3-Buten-2-One, 4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-, (E)-; B-Ionone; Beta-Ionone; Aids-032326; Ionone, Beta-(Sg); β-Ionone,4-(2,6,6-Trimethyl-1-Cyclohexenyl)-3-Buten-2-One; 4-(2,6,6-Trimethyl-1; (E)-1-(2,6,6-Trimethyl-1-Cyclohexenyl)-1-Butene-3-One; (E)-β-Ionoine; β-Lonone
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Properties

Summary

Formula
C13H20O
Molecular Mass
192.29700
Exact Mass
192.15100
PSA
17.07000
Logp
3.65820
IUPAC
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SMILES
CC1=C(C(CCC1)(C)C)C=CC(=O)C

Attribute classification

Matter Classification
organic
Category
Cosmetics > Cosmetic Raw Materials
Flavors and Fragrances > Spice
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
-49°C
Density
0.945 g/mL at 25 °C(lit.)
Boiling Point
126-128 °C12 mm Hg(lit.)
Flash Point
230 °F
Appearance
Light yellow liquid
Acidity and Basicity
neutral

Export information

HS Code
29142300
Export Rebate
13
UN No.
30829
DG-Class
9
Risk Code
R36; R51/53
Safety Label
Xi; N

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