α-Irone
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α-Irone
structure -
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CAS No:
79-69-6
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Formula:
C14H22O
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Chemical Name:
α-Irone
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Synonyms:
3-Buten-2-one,4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-;α-Ionone,methyl-;4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one;α-Irone;α-Ionone,6-methyl-;6-Methyl-α-ionone;4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-butene-2-one;Methyl-α-ionone;54082-69-8
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CAS No:
Description
α- Irone has a rich, floral and natural character and constitutes an important element in orris and violet compositions as well as being useful when an exotic nuance is required. α-Irone is extremely diffusive, and it gives volume and tenacity to compositions. In combination with α-irisone (1:20, respectively) gives a natural orris effect. Yellowish liquid; Soluble in alcohol. A mixture of three isomers (α-, βand γ-irone).
colourless to pale yellow liquid
Characteristics
17.07000
3.76010
Solid
0.9353 g/cm3 @ Temp: 21 °C
<25 °C
89 °C @ Press: 0.5 Torr
118.4ºC
1.5
1 ml in 4 ml 70% alcohol (in ethanol)
Safety Information
NONH for all modes of transport
2
23-24/25
EN0335000
|H411 (10.28%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 1683 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
α-Irone Use and Manufacturing
Made with dimethyl butadiene as raw material.
GB 2760-1996 stipulates food flavors temporarily allowed to be used. Mainly used to prepare raspberry, strawberry and other flavors.
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:206.32
XLogP3:3.2
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:307
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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