3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
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3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
structure -
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CAS No:
79-89-0
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Formula:
C14H22O
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Chemical Name:
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
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Synonyms:
3-Buten-2-one,3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one;δ-Iraldeine;Isomethyl-β-ionone;NSC 66433
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CAS No:
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one Basic Attributes
206.32400
206.32
201-231-1
DTXSID0052544
Characteristics
17.07000
4.04830
Colourless solid, Warm floral aroma
0.9355 g/cm3 @ Temp: 20 °C
124-125 °C @ Press: 9 Torr
Practically insoluble to insoluble
Safety Information
|Warning|H315 (62.33%): 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 223 companies from 6 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, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one Use and Manufacturing
3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:206.32
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:329
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
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