ScenTree, la nouvelle encyclopédie des ingrédients de parfum.

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Crédits photo: ScenTree SAS

CAS number :

1335-46-2

EINECS number :

204-846-3

FEMA number :

2714

JECFA number :

404

FLAVIS number :

07.036

Volatility :

Heart/Base

Appearance :

Colorless to pale yellow liquid

Price Range :

€€

Stability :

Unstable in acid products, except fabric conditioners, and in very alkaline products.

Density :

0.93

Molecular formula :

C₁₄H₂₂O

Molecular Weight :

206.3 g/mol

Flash Point :

255.2°F (124°C)

Log P :

4.7

Fusion Point :

Data not available.

Boiling Point :

460.4°F (238°C)

Detection Threshold :

1.706 ng/l

Crédits photo: ScenTree SAS

Year of discovery :

Data not available.

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®).

Synthesis precursor :

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

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.

Natural availability :

Isoraldeine 70® is not available in its natural state.

Allergens :

Methyl Ionones may provoke an allergic reaction on skin contact (redness, heat, scraching, prickling) for some people.

For more information on allergens used in perfumery, please consult our article about allergens

IFRA :

This ingredient is not restricted

Annexe I :

Maximum usage according to the product category :
Ingredients containing
Ingredient Name	CAS N°	Estimated Concentration
Benzyl alcohol	100-51-6	0,1
Cyclopentadecanolide	106-02-5	1,6
Estragole	140-67-0	3
p-Methoxybenzaldehyde	123-11-5	1
Eugenol	97-53-0	0,1
Geraniol	106-24-1	0,1
Methyl eugenol	93-15-2	0,03
Geraniol	106-24-1	0,2
Estragole	140-67-0	0,8
Eugenol	97-53-0	2
Geraniol	106-24-1	0,4
Methyl eugenol	93-15-2	0,5
Geraniol	106-24-1	2,2
Estragole	140-67-0	0,17
Methyl eugenol	93-15-2	0,12
d-Carvone	2244-16-8	59
p-Mentha-1,8-dien-7-al	2111-75-3	0,1
1-Octen-3-yl acetate	2442-10-6	0,5
Citral	5392-40-5	0,5
Geraniol	106-24-1	17,7
l-Citronellol	7540-51-4	21,1

Restriction type :

RESTRICTION QRA

Cause of restriction :

DERMAL SENSITIZATION

Amendment :

48

Comments :

The above limits apply to Methyl ionone isomers used individually or in combination. 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.

Quantitative usage limits :

Cat.1	Cat.2	Cat.3	Cat.4	Cat.5	Cat.6	Cat.7	Cat.8	Cat.9	Cat.10	Cat.11
2 %	2,59 %	10,56 %	31,67 %	16,67 %	50,72 %	5,3 %	2 %	5 %	2,5 %	Not restricted

Skin contact products		Non skin contact products
Leave on products	Rinse off products	Non skin contact products
	0,01 %	0,2 %

Annexe I :

Some regulated synthetic ingredients are found in nature and in certain proportions in natural ingredients. This presence in nature has to be taken into account when calculating limits of use recommended by the IFRA. In case you do not know these concentrations, you can use the ones estimated by the IFRA. Here They are :

List of natural ingredients containing the material presented here
Ingredient Name	Botanical Name	CAS N°	Estimated Concentration
Anise seed oil	Pimpinella anisum L.	8007-70-3	0,3
Basil oil, chemotype estragole	Ocimum basilicum L.	8015-73-4	85
Basil oil, chemotype linalool	Ocimum basilicum L.	8015-73-4	0,8
Basil oleoresin, chemotype estragole	Ocimum basilicum L.	84775-71-3	34
Bay leaves, West Indian, oil	Pimenta racemosa (Mill.) J.W. Moore	8006-78-8	1
Bay oil, terpeneless	Pimenta racemosa (P. Mill.) J.W. Moore	68916-05-2	1,2
Fennel oil, bitter	Foeniculum vulgare Miller	8006-84-6	3
Fennel oil, sweet	Foeniculum vulgare Miller	8006-84-6	3
Hyssop oil	Hyssopus officinalis L.	8006-83-5	0,17
Star anise oil	Illicium verum Hook, f.	68952-43-2	3,3
Tarragon oil	Artemisia dracunculus L.	8016-88-4	80

Annexe I :

Maximum usage according to the product category :
Ingredients containing
Ingredient Name	CAS N°	Estimated Concentration
Benzyl alcohol	100-51-6	0,1
Cyclopentadecanolide	106-02-5	1,6
p-Methoxybenzaldehyde	123-11-5	1
Estragole	140-67-0	3
l-Carvone	6485-40-1	0,2
Geraniol	106-24-1	0,1
Methyl eugenol	93-15-2	0,03
Eugenol	97-53-0	0,1
Geraniol	106-24-1	0,1
Methyl eugenol	93-15-2	0,03
Eugenol	97-53-0	0,1
Geraniol	106-24-1	0,2
Estragole	140-67-0	0,95
alpha-Bisabolol	515-69-5	0,2
Methyl eugenol	93-15-2	0,2
Eugenol	97-53-0	7,9
Geraniol	106-24-1	1,2
Estragole	140-67-0	0,17
beta-Thujone	471-15-8	0,2
alpha-Thujone	546-80-5	0,2
Thujone	76231-76-0; 1125-12-8	0,4
Methyl eugenol	93-15-2	0,2
Perilla aldehyde	2111-75-3	0,1
d-Carvone	2244-16-8	59
1-Octen-3-yl acetate	2442-10-6	0,5

Restriction type :

RESTRICTION_SPECIFICATION

Cause of restriction :

DERMAL SENSITIZATION

Amendment :

49

Comments :

The above limits apply to Methyl ionone isomers used individually or in combination. 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.

Quantitative limit on the use :

Cat.1	Cat.2	Cat.3	Cat.4	Cat.5A	Cat.5B	Cat.5C	Cat.5D	Cat.6
5,4 %	1,6 %	32 %	30 %	7,6 %	7,6 %	7,6 %	7,6 %	18 %
Cat.7A	Cat.7B	Cat.8	Cat.9	Cat.10A	Cat.10B	Cat.11A	Cat.11B	Cat.12
61 %	61 %	3,2 %	59 %	100 %	100 %	100 %	100 %	Not restricted

Annexe I :

Some regulated synthetic ingredients are found in nature and in certain proportions in natural ingredients. This presence in nature has to be taken into account when calculating limits of use recommended by the IFRA. In case you do not know these concentrations, you can use the ones estimated by the IFRA. Here They are :

List of natural ingredients containing the material presented here
Ingredient Name	Botanical Name	CAS N°	Estimated Concentration
Anise seed oil	Pimpinella anisum L.	8007-70-3	0,3
Basil oil, chemotype estragole	Ocimum basilicum L.	8015-73-4	80
Basil oil, chemotype linalool	Ocimum basilicum L.	8015-73-4	0,95
Basil oleoresin, chemotype estragole	Ocimum basilicum L.	8015-73-4	34
Bay leaf oil, terpeneless	Pimenta acris Kostel	68916-05-2	1,2
Bay leaf, West Indian, oil	Pimenta racemosa (Mill.) J.W. Moore	8006-78-8	0,1
Fennel oil, bitter, phellandrene type	Foeniculum vulgare Mill.	84625-39-8	4,7
Fennel oil, bitter,anethole type	Foeniculum vulgare Mill.	8006-84-6	2,1
Fennel oil, sweet	Foeniculum vulgare subsp. vulgare var. Dulce (Mill) Batt.	8006-84-6	3
Hyssop oil	Hyssopus officinalis L.	8006-83-5	0,17
Myrtle oil	Myrtus communis L.	8008-46-6	0,1
Ravensara aromatica oil	Ravansara aromatica Sonn. (v. anisata)	91770-56-8	8
Star anise oil	Illicium verum Hook, f.	68952-43-2	3,3
Tarragon oil	Artemisia dracunculus L.	8016-88-4	80

To learn more about IFRA's standards : https://ifrafragrance.org/safe-use/library
To find out the specificities of each category and the ingredients prohibited by IFRA, click article about l'IFRA
ScenTree is solely responsible for the information provided here.

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.

Other names :

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

Other comments :

Isoraldeine 70® 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. Then, Isoraldeine® served as a substitute for the note of fût n°5. Methyl ionones are one of the 26 allergens in perfumery.