1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
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1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
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CAS No:
7784-98-7
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Formula:
C14H22O
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Chemical Name:
1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
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Synonyms:
1-Penten-3-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-;1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one;5-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-4-penten-3-one;Methyl δ-ionone
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CAS No:
Description
iso-Methyl-β-ionone has a light, warm, floral odor and a berry-like flavor
colourless to yellow liquid
Methyl-delta-ionone is a sesquiterpenoid.
1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one Basic Attributes
206.32400
206.32
232-074-7
11E70LY0Z5
Characteristics
17.07000
3.76010
colourless to yellow liquid
0.92g/cm3
285.6ºC at 760 mmHg
122.2ºC
1.503
insoluble in water; soluble in alcohol
Safety Information
|Warning|H315 (52.34%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 128 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one Use and Manufacturing
1-Penten-3-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:206.32
XLogP3:3.6
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:284
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
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