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General Presentation
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CAS N° : 1335-46-2
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EINECS number : 204-846-3
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FEMA number : 2714
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FLAVIS number : 07.036
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JECFA number : 404
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Appearance : Colorless liquid
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Density : 0,93
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Volatility : Heart/Base
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Price Range : €€
Physico-chemical properties
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Molecular formula : C14H22O
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Molecular Weight : 206,33 g/mol
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Log P : 4,6
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Fusion Point : Donnée indisponible.
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Boiling Point : 238°C
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Detection Threshold : 0,971 ng/l air
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Optical rotation : Donnée indisponible
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Vapor pressure : Donnée indisponible
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Refractive Index @20°C : Donnée indisponible
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Acid Value : Donnée indisponible.
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Flash Point : 120°C
Uses
Uses in perfumery :
Isoraldeine 95® is used for reproductions of violet notes, in floral fragrances, in association with rosy or woody sandalwood notes. Useful in the reconstitution of carnation and tea notes, combined with hedione and Bergamot EO.
Year of discovery :
Data not available.
Natural availability :
Isoraldeine 95® is not available in its natural state.
Isomerism :
As for conventional Ionones, the synthesis of alpha-Isomethylionone gives rise to other isomers of this molecule. beta-Isomethylionone has a more ambergris, orris and less fruity smell. Alpha-Irone and Cashmaeran are constitutional isomers of Isoraldeine®. Nevertheless, Cashmeran® has a distant smell, while Irone is closer to its violet aspect.
Synthesis precursor :
Isoraldeine 95® is not a precursor to the synthesis of another compound of olfactory interest.
Synthesis route :
Isoraldeine 95® is composed of a predominantly methylionone isomer, called alpha-Isomethyl Ionone. The synthesis of methylionones is made from Citral and methyl ethyl ketone (instead of acetone for ionones). This synthesis step gives rise to two molecules called n-methyl pseudoionone and Isomethyl pseudoionone, both having cis and trans diastereoisomers. The ratio of one molecule relative to the other is favoured by the choice of the reaction catalyst: the stronger the catalyst base, the more favoured will Isomethyl pseudoionone be. For the cyclization step of Pseudoionone, as for Alpha-Ionone, the use of concentrated phosphoric acid favours alpha-Isomethylionone rather than the beta or gamma isomer. In general, each isomethyl ionone synthesis results in the formation of isomers of the desired molecule. In the case of alpha-Isomethylionone, its purity can reach 90% maximum (comparision with Isoraldeine 70®).
Regulations & IFRA
Allergens :
This ingredient does not contain any allergen.
IFRA 51th :
This ingredient is restricted by the 51th amendment
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Restriction type : RESTRICTION_SPECIFICATION
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Cause of restriction : DERMAL SENSITIZATION
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Amendment : 49
- Quantitative limit on the use :
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Cat.1 Cat.2 Cat.3 Cat.4 Cat.5A B C DCat.6 5,4 % 1,6 % 32 % 30 % 7,6 % 7,6 % 7,6 % 7,6 %18 % Cat.5A B C DCat.6 7,6 % 7,6 % 7,6 % 7,6 %18 % Cat.7A BCat.8 Cat.9 Cat.10A BCat.11A BCat.12 61 % 61 %3,2 % 59 % 100 % 100 %100 % 100 %No Restriction Cat.10A BCat.11A BCat.12 100 % 100 %100 % 100 %No Restriction
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Restricted ingredients: notes
The above limits apply to Methyl ionone isomers used individually or in combination.
Specified ingredients: notes
Pseudo methyl ionones (CAS numbers 26651-96-7, 72968-25-3, 1117-41-5) should not be used as fragrance ingredient as such. A level of up to 2% of Pseudo methyl ionones as an impurity in Methyl ionones is accepted.
