ScenTree, la nouvelle encyclopédie des ingrédients de parfum.

Exploring the branches of scent

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Crédits photo: ScenTree SAS

CAS number :

107-75-5

EINECS number :

203-518-7

FEMA number :

2583

JECFA number :

611

FLAVIS number :

05.012

Volatility :

Heart

Appearance :

Colorless liquid

Price Range :

€€

Stability :

Aldehydes may form diethylacetals in alcoholic perfumes, with no real impact on their smell. Terpenes tend to polymerize by oxydation. Liquefies shower gel bases.

Density :

0.942

Molecular formula :

C₁₀H₂₀O₂

Molecular Weight :

172.27 g/mol

Flash Point :

235.4°F (113°C)

Log P :

1.42

Fusion Point :

Data not available.

Boiling Point :

494.6°F (257°C)

Detection Threshold :

Data not available.

Crédits photo: ScenTree SAS

Year of discovery :

Discovered in 1905.

Synthesis route :

Hydroxycitronellal can be synthesized from several different reagents. The final product can be obtained from Citronellal in an acid medium and by reaction with sodium carbonate. From Citronellol, an acid hydrolysis reaction in the presence of sulfuric acid allows to obtain a diol, capable of undergoing a dehydrogenation catalysed by copper and zinc, for example. This method offers a high purity and a very good yield. From Myrcene, a reaction with a dialkylamine allows to synthesize 7-hydroxygeranyl dialkylamine, after an acid hydrolysis. After that, the presence of palladium (II) phosphine in a catalytic amount allows to change the place of the double bond in order to obtain a compound called enamine. A last acid hydrolysis of this compound allows to obtain Hydroxycitronellal.

Synthesis precursor :

Hydroxycitronellal is a precursor molecule of the synthesis of Aurantiol, by reaction with Methyl Anthranilate .

Isomerism :

Hydroxycitronellal has an asymmetric carbon that gives rise to two possible enantiomers with a similar smell. Florol® is a constitutional isomer of Hydroxycitronellal. Both are used in particular in lily of the valley reconstructions. However, Florol® tends to replace Hydroxycitronellal in formulas, as it is not regulated.

Natural availability :

Hydroxycitronellal is not available in its natural state.

Allergens :

Hydroxycitronellal 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	0,5
Benzyl benzoate	120-51-4	7
Benzyl salicylate	118-58-1	3
Eugenol	97-53-0	0,5
Farnesol	4602-84-0	1,5
Geraniol	106-24-1	1,4
Isoeugenol	97-54-1	0,5
Benzyl alcohol	100-51-6	0,5
Benzyl benzoate	120-51-4	6
Benzyl salicylate	118-58-1	3
Eugenol	97-53-0	0,5
Farnesol	4602-84-0	1,5
Geraniol	106-24-1	1
Isoeugenol	97-54-1	0,5
Methyl eugenol	93-15-2	2,8

Restriction type :

RESTRICTION QRA

Cause of restriction :

SENSITIZATION

Amendment :

47

Comments :

This ingredient is part of the Schiff base (Hydroxycitronellal-Indole (or Indolene 50%) - N°CAS : 68527-79-7) and induces the application of IFRA regulations for 63,5% of the Schiff base usage. This ingredient is part of the Schiff base (Hydroxycitronellal methyl anthranilate (or Aurantiol, Aurantium, Aurantoin) - N°CAS : 89-43-0) and induces the application of IFRA regulations for 56,4% of the Schiff base usage. Please also refer to the IFRA Annex II for more information

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
0,1 %	0,2 %	0,8 %	1 %	1 %	3,6 %	0,4 %	1 %	1 %	1 %	Not restricted

Skin contact products		Non skin contact products
Leave on products	Rinse off products	Non skin contact products

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

Annexe I :

Maximum usage according to the product category :
Ingredients containing
Ingredient Name	CAS N°	Estimated Concentration
Benzyl alcohol	100-51-6	0,1
Cinnamyl acetate	103-54-8	4,2
Geraniol	106-24-1	0,3
Benzyl salicylate	118-58-1	3
Benzyl benzoate	120-51-4	4,5
Benzyl cyanide	140-29-4	0,05
Farnesal	19317-11-4	0,02
Farnesol	4602-84-0	1,4
Eugenol	97-53-0	0,5
Isoeugenol	97-54-1	0,5
Benzyl alcohol	100-51-6	0,5
Cinnamyl acetate	103-54-8	3
Geraniol	106-24-1	1
Benzyl salicylate	118-58-1	3
Benzyl benzoate	120-51-4	6
Benzyl cyanide	140-29-4	0,03
Farnesal	19317-11-4	0,02
Farnesol	4602-84-0	1,5
Eugenol	97-53-0	0,5
Isoeugenol	97-54-1	0,5
Geraniol	106-24-1	0,4
Methyl eugenol	93-15-2	2,8

Restriction type :

RESTRICTION

Cause of restriction :

DERMAL SENSITIZATION

Amendment :

49

Comments :

This ingredient is part of the Schiff base (Hydroxycitronellal-Indole (or Indolene 50%) - N°CAS : 68527-79-7) and induces the application of IFRA regulations for 63,5% of the Schiff base usage. This ingredient is part of the Schiff base (Hydroxycitronellal methyl anthranilate (or Aurantiol, Aurantium, Aurantoin) - N°CAS : 89-43-0) and induces the application of IFRA regulations for 56,4% of the Schiff base usage. Please also refer to the IFRA Annex II for more information

Quantitative limit on the use :

Cat.1	Cat.2	Cat.3	Cat.4	Cat.5A	Cat.5B	Cat.5C	Cat.5D	Cat.6
0,38 %	0,11 %	2,3 %	2,1 %	0,53 %	0,53 %	0,53 %	0,53 %	1,2 %
Cat.7A	Cat.7B	Cat.8	Cat.9	Cat.10A	Cat.10B	Cat.11A	Cat.11B	Cat.12
4,3 %	4,3 %	0,22 %	4,1 %	15 %	15 %	8,2 %	8,2 %	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

To learn more about IFRA's standards : https://ifrafragrance.org/safe-use/understanding-the-ifra-standards
To find out the specificities of each category and the ingredients prohibited by IFRA, click article about l'IFRA

Uses in perfumery :

Hydroxycitronellal is used in white flowers notes: lily of the valley, lilac. Tends to be more and more restricted.

Other names :

Laurinal®, Cyclosia®, Cyclosia Base®, 7-hydroxy-3,7-dimethyloctanal, citronellal hydrate, citronellaldehyde, oxydihydrocitronellal, hidroxycitronellal, 7-hydroxy-3,7-dimethyloctanal, lily aldehyde, muguet synthetic, muguettine principle, oxdihydrocitronellal

Other comments :

Hydroxycitronellal is one of the 26 allergens in perfumery. It is also regulated by the IFRA. Therefore, it is often replaced by Florol®, which is not regulated. Used for the first time in 1912, in Quelques fleurs by Houbigant.