ScenTree, la nouvelle encyclopédie des ingrédients de parfum.

Exploring the branches of scent

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Crédits photo: ScenTree SAS

CAS number :

80-54-6

EINECS number :

201-289-8

FEMA number :

Data not available.

JECFA number :

Data not available.

FLAVIS number :

Data not available.

Volatility :

Heart/Base

Appearance :

Colorless liquid

Price Range :

€€

Stability :

Very unstable in various functional bases. Aldehydes may form diethylacetals in alcoholic perfumes, with no real impact on their smell. Most of the time, the occurrence of a benzenic cycle in a molecule causes a coloration of this molecule through time.

Density :

0.939

Molecular formula :

C₁₄H₂₀O

Molecular Weight :

204.31 g/mol

Flash Point :

174.2°F (79°C)

Log P :

4.2

Fusion Point :

-4°F (-20°C)

Boiling Point :

534.2°F (279°C)

Detection Threshold :

0.27 ng/L air

Crédits photo: ScenTree SAS

Year of discovery :

Discovered in 1956.

Synthesis route :

Lilial® is prepared in the same way as Cyclamen Aldehyde : a condensation of tert-butylbenzaldehyde (unlike isopropylbenzaldehyde) with propanal, followed by a catalytic hydrogenation of the compound obtained, allows to obtain Lilial®. Another synthetic route exists and consists in a catalytic hydrogenation of alpha-MethylCinnamaldehyde to obtain alpha-methyldihydroCinnamyl Alcohol. Following this first step, an alkylation using tert-butyl chloride or isobutene is operated to obtain a third reaction intermediate, then dehydrogenated to obtain Lilial®.

Synthesis precursor :

Lilial® forms a Schiff base with amines such as Methyl Anthranilate or Indole.

Isomerism :

Lilial® has an asymmetric carbon, giving rise to two possible enantiomers. These two isomers have a similar smell close to lily of the valley.

Natural availability :

Lilial® is not available in its natural state.

Allergens :

Lilial® 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

Restriction type :

RESTRICTION QRA

Cause of restriction :

DERMAL SENSITIZATION

Amendment :

47

Comments :

p-tert-Butyl-α-methylhydrocinnamic aldehyde (p-BMHCA) should not be used for any finished product application included under IFRA Categories 1 and 6 (lipsticks and oral care products). This ingredient is part of the Schiff base (Lysmeral-methyl anthranilate (or Verdantiol) - N°CAS : 91-51-0) and induces the application of IFRA regulations for 60,6% 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
0,12 %	0,15 %	0,62 %	1,86 %	0,98 %	2,97 %	0,31 %	2 %	5 %	2,5 %	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

Restriction type :

RESTRICTION_PROHIBITION

Cause of restriction :

DERMAL SENSITIZATION AND SYSTEMIC TOXICITY

Amendment :

49

Comments :

p-tert-Butyl-α-methylhydrocinnamic aldehyde (p-BMHCA) should not be used for any finished product application included under IFRA Categories 1 and 6 (lipsticks and oral care products). This ingredient is part of the Schiff base (Lysmeral-methyl anthranilate (or Verdantiol) - N°CAS : 91-51-0) and induces the application of IFRA regulations for 60,6% 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
Prohibited %	0,09 %	0,04 %	1,4 %	0,06 %	0,05 %	0,05 %	0,017 %	Prohibited %
Cat.7A	Cat.7B	Cat.8	Cat.9	Cat.10A	Cat.10B	Cat.11A	Cat.11B	Cat.12
0,04 %	0,04 %	0,017 %	0,1 %	0,1 %	0,63 %	0,017 %	0,017 %	16 %

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 :

Lilial® is used in all types of perfumes to give heart to a jasmine, freesia, cyclamen, lotus, lily of the valley or lilac accord.

Other names :

Lysmeral®, Lilialdéhyde, Lilestralis®, Lilyall®, 3-(4-tert-butylphenyl)butanal, aldehyde MBDC, 2-(4-tert-butyl benzyl) propionaldehyde, butyl phenyl methyl propional, para-tert-butyl-alpha-methyl hydrocinnamaldehyde, para-tert-butyl-alpha-methyl hydrocinnamic aldehyde, 3-(4-tert-butylphenyl)butanal, butylphenylmethylpropional, liligul N 743 CLP, lilyall, mefloral, alpha-methyl-beta-(para-tert-butylphenyl)propionaldehyde

Other comments :

Very close to Lyral®. Lilial® is more stable than Cyclamen Aldehyde, for a similar synthetic route. Lilial® is one of the 26 allergens in perfumery.