ScenTree, la nouvelle encyclopédie des ingrédients de parfum.

Exploring the branches of scent

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Crédits photo: ScenTree SAS

CAS number :

140-67-0

EINECS number :

205-427-8

FEMA number :

2411

JECFA number :

1789

FLAVIS number :

Data not available.

Volatility :

Head

Appearance :

Colorless liquid

Price Range :

€

Stability :

Aromatic compounds are chromophorous. This means that they may colour through time or in an alkaline medium.

Density :

0.96

Molecular formula :

C₁₀H₁₂O

Molecular Weight :

148.22 g/mol

Flash Point :

180°F (82°C)

Log P :

Data not available.

Fusion Point :

Data not available.

Boiling Point :

421°F (216°C)

Detection Threshold :

Data not available.

Crédits photo: ScenTree SAS

Year of discovery :

Data not available.

Synthesis route :

In most cases, Estragole is not synthesized. It is extracted from essential oils as Tuprentine EO, having a very low cost. Then, a distillation of this oil ables to recover Estragole. Another way to get it strating with this oil is to treat it in petroleum ether, with an aqueous solution of mercury acetate, followed by heating the aqueous phase with zinc and sodium hydroxyde. This is a more costly way of obtaining Estragole, but with a better yield.

Synthesis precursor :

Estragole is not used for the synthesis of another compound use din perfumery.

Isomerism :

Estragole is a positional isomer of Anethole. The carbon double bond of these molecules is not at the same place. They have a very similar smell. Anethole remains anyway a very neutral anisic note, and has a less green and aromatic character.

Natural availability :

Estragole is found in nature in some essential oils : Tarragon EO, Basil (Estragol chemotype) EO and Turpentine EO for example. It can be extracted from them by distillation.

Allergens :

This ingredient does not contain any allergen.

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

Restriction type :

RESTRICTION NON QRA

Cause of restriction :

CARCINOGENICITY

Amendment :

48

Comments :

The limit only applies to applications on skin exposed to sunshine, excluding rinse-off products (please refer to Table 4 of the QRA booklet for more detailed information). If combinations of phototoxic fragrance ingredients are used, the use levels have to be reduced accordingly. The sum of the concentrations of all phototoxic ingredients, expressed in % of their recommended maximum level in the consumer product shall not exceed 100. Note: See remark on phototoxic ingredients in the Introduction to the IFRA Standards (Appendix 8 to the IFRA Code of Practice) and the Standard on Citrus oil and other furocoumarins-containing essential oils.

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
0,003 %	0,004 %	0,01 %	0,01 %	0,01 %	0,08 %	0,008 %	0,01 %	0,01 %	0,01 %	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

Restriction type :

RESTRICTION

Cause of restriction :

DERMAL SENSITIZATION AND SYSTEMIC TOXICITY

Amendment :

49

Comments :

The Standard is set due to the phototoxic effects of Angelica root oil. For more detailed information on the application of this Standard, please refer to the note on phototoxic ingredients in chapter 1 of the Guidance for the use of IFRA Standards. If the level of furocoumarins is unknown, the restriction level specified in this IFRA Standard applies. Combination effects of phototoxic ingredients are only taken into consideration for the furocoumarin-containing fragrance ingredients (extracts) listed in the IFRA Standard of Citrus oils and other furocoumarins containing essential oils. If combinations of furocoumarin-containing phototoxic fragrance ingredients (extracts) are used, the use levels must be reduced accordingly. The sum of the concentrations of all furocoumarin-containing phototoxic fragrance ingredients (extracts), expressed in of their recommended upper concentration level in the consumer product shall not exceed 100.

Quantitative limit on the use :

Cat.1	Cat.2	Cat.3	Cat.4	Cat.5A	Cat.5B	Cat.5C	Cat.5D	Cat.6
0,012 %	0,023 %	0,012 %	0,42 %	0,075 %	0,0062 %	0,012 %	0,0021 %	0,031 %
Cat.7A	Cat.7B	Cat.8	Cat.9	Cat.10A	Cat.10B	Cat.11A	Cat.11B	Cat.12
0,012 %	0,012 %	0,0021 %	0,05 %	0,05 %	0,05 %	0,0021 %	0,0021 %	1,5 %

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 :

Estragole brings an anisic and green facet in a composition. It is overall used in masculine fragrances in low quantity to bring a sweet effect, while Anethole is even sweeter. Estragole is also used due to its low cost.

Other names :

4-allyl anisole, para-allyl anisole, para-allyl methoxybenzene, 4-allyl methoxybenzene, 1-allyl-4-methoxybenzol, 4-allylphenyl methyl ether, isoanethole, méthyl chavicol, chavicol methyl ether, esdragol, 1-methoxy-4-(2-propen-1-yl)-benzene, para-methoxyallyl benzene

Other comments :

Estragole is also called Methyl-Chavicol. Its name is due to its presence in Tarragon EO.