Isoraldéine 70® (CAS N° 1335-46-2)​

Photo credits: ScenTree SAS

Floral > Powdery Flowers > Violet Flower > Dry Woods > Leather

Isoraldéine 70®

α-Isomethylionone ; (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one ; Cetone alpha

Isoraldéine 70® (CAS N° 1335-46-2)​

Photo credits: ScenTree SAS

Company Ingredient Name ID Comments Naturality Certifications Purity Latin name Treated part Geographical origin MOQ
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Isoraldéine 70 - 30 Gr - Visit website Je me procure cet ingrédient - - - - - -

Isoraldéine 70 - 30 Gr

Certifications :

Information Générales

General Presentation

  • CAS N° : 1335-46-2

  • EINECS number : 204-846-3

  • FEMA number : 2714

  • FLAVIS number : 07.036

  • JECFA number : 404

  • Appearance : Colorless to pale yellow liquid

  • Density : 0,93

  • Volatility : Heart/Base

  • Price Range : €€

Physico-chemical properties

  • Molecular formula : C14H22O

  • Molecular Weight : 206,3 g/mol

  • Log P : 4,7

  • Fusion Point : Donnée indisponible.

  • Boiling Point : 238°C

  • Detection Threshold : 1,706 ng/l air

  • Optical rotation : Donnée indisponible

  • Vapor pressure : Donnée indisponible

  • Refractive Index @20°C : Donnée indisponible

  • Acid Value : Donnée indisponible.

  • Flash Point : 124°C

Utilisation

Uses

Uses in perfumery :

Isoraldeine 70® is used in leather notes to bring a facet of violet flower, as it is more leather than Isoraldeine 95®. Can be used in a tea note, combined with Hédione®, Damascone-Beta® and Bergamot EO.

Year of discovery :

Data not available.

Natural availability :

Isoraldeine 70® 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 70® is not a precursor to the synthesis of another compound of olfactory interest.

Synthesis route :

Isoraldeine 70® 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 Isomethyl pseudoionone will be favoured. 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 Isoraldine 70®, its purity can reach 75% maximum (comparision with Isoraleine 95®).

Utilisation

Regulations & IFRA

Allergens :

This ingredient does not contain any allergen.

IFRA 51th :

This ingredient is restricted by the 51th amendment

    IFRA's logo
  • Restriction type : RESTRICTION_SPECIFICATION

  • Cause of restriction : DERMAL SENSITIZATION

  • Amendment : 49

Quantitative limit on the use :
Cat.1 Cat.2 Cat.3 Cat.4
Cat.5
A B C D
Cat.6
5,4 % 1,6 % 32 % 30 %
7,6 % 7,6 % 7,6 % 7,6 %
18 %
Cat.5
A B C D
Cat.6
7,6 % 7,6 % 7,6 % 7,6 %
18 %
Cat.7
A B
Cat.8 Cat.9
Cat.10
A B
Cat.11
A B
Cat.12
61 % 61 %
3,2 % 59 %
100 % 100 %
100 % 100 %
No Restriction
Cat.10
A B
Cat.11
A B
Cat.12
100 % 100 %
100 % 100 %
No Restriction
  • 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.

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