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General Presentation
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CAS N° :
1335-46-2 -
EINECS number :
204-846-3 -
FEMA number :
2714 -
FLAVIS number :
07.036
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JECFA number :
404 -
Volatility :
Heart/Base -
Price Range :
€€
Physico chemical properties
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Appearance :
Colorless liquid -
Density :
0,93 -
Refractive Index @20°C :
Data not available. -
Optical rotation :
Data not available. -
Vapor pressure :
0,008 hPa @20°C -
Flash Point :
120°C
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Molecular formula :
C14H22O -
Molecular Weight :
206,33 g/mol -
Log P :
4,6 -
Fusion Point :
Donnée indisponible. -
Boiling Point :
238°C -
Detection Threshold :
0,971 ng/l air
Chemistry & Uses
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®).
Stability :
Unstable in acid products, except fabric conditioners, and in very alkaline products.
Other comments :
Isoraldeine 95® has a woodier note than Iralia®, less sweet than alpha-Ionone and less dusty than beta-Ionone.
Originally, the synthesis of some ionones gave birth to several organic waste, stored in barrels (fûts in French). The perfumer, Edmond Roudnitska, chose to use one of them in the creation of one of his biggest hits: fût n°5, which was subsequently regulated.
Methyl ionones are one of the 26 allergens in perfumery.
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 -
Cause of restriction :
DERMAL SENSITIZATION -
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.
