β-Iraldeine
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β-Iraldeine
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CAS No:
127-43-5
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Formula:
C14H22O
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Chemical Name:
β-Iraldeine
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Synonyms:
1-Penten-3-one,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one;β-Iraldeine;5-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-4-penten-3-one;NSC 163995;1-(2,2,6-Trimethylcyclohex-1-en-1-yl)-1-penten-3-one
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CAS No:
Description
Methyl-β-ionone has an odor similar to β-ionone with a leather noteMethyl-P-ionone has an odor similar to P-ionone with a Bulgarian leather note. May be prepared by condensation of citral with methyl ethyl ketone (see α-isomethylionone); it is usually present in low levels (6 - 7%) in commercial products.
Characteristics
17.07000
4.04830
colourless to yellow liquid
0.9338 g/cm3 @ Temp: 25 °C
133 °C
130.8ºC
1.514
0.00108mmHg at 25°C
Safety Information
23-24/25
P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, P501
H315
Computed Properties
Molecular Weight:206.32
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:305
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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