ScenTree, la nouvelle encyclopédie des ingrédients de parfum.

Exploring the branches of scent

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Crédits photo: ScenTree SAS

CAS number :

91-64-5

EINECS number :

202-086-7

FEMA number :

Data not available.

JECFA number :

Data not available.

FLAVIS number :

Data not available.

Volatility :

Heart

Appearance :

White solid

Price Range :

€

Stability :

Coumarin gets red in alkaline functional bases.

Density :

1.247

Molecular formula :

C₉H₆O₂

Molecular Weight :

146.14 g/mol

Flash Point :

323.6°F (162°C)

Log P :

Data not available.

Fusion Point :

159.8°F (71°C)

Boiling Point :

566.6°F (297°C)

Detection Threshold :

Between 34 and 50 ppb (0.000005%) and its recognition threshold is in the order of 250 ppb.

Crédits photo: ScenTree SAS

Year of discovery :

Discovered in 1868. English chemist William Henry Perkin synthesized Coumarin for the first time, twenty years after its natural discovery by German chemist Friedrich Whöler. The industrial synthesis of Coumarin only started in 1877.

Synthesis route :

Coumarin is synthesized from Salicylaldehyde by a Perkin synthesis. This reaction consists in reacting Salicylaldehyde with acetic anhydride in the presence of sodium acetate at a high temperature. Acetic acid also results from this reaction and is the most used method.

Synthesis precursor :

Coumarin allows the synthesis of several perfume compounds. In a diluted alkaline medium, it can be hydrolysed to be converted to cis-2-Hydroxycinnamic acid. In a concentrated alkaline medium, at a hot temperature and in the presence of ethanol, the resulting product is trans-2-Hydroxycinnamic acid. Dihydrocoumarin is obtained by a catalytic hydrogenation of coumarin. Hydrogenation at a high temperature (392-482 °F) allows to synthesize Octahydrocoumarin.

Isomerism :

Coumarin does not have any isomer used in perfumery.

Natural availability :

Coumarin is present in several plant extracts, including Tonka Bean Absolute, Hay Absolute or sweet woodruff, of which it is the major constituent and from which it can be extracted in its natural state.

Allergens :

Coumarin 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
Benzaldehyde	100-52-7	0,9
Citral	5392-40-5	0,34
Citronellol	106-22-9	12,2
Eugenol	97-53-0	2,3
Geraniol	106-24-1	5
Methyl eugenol	93-15-2	0,5

Restriction type :

RESTRICTION QRA

Cause of restriction :

SENSITIZATION

Amendment :

43

Comments :

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 %	0,13 %	0,5 %	1,6 %	0,8 %	2,5 %	0,3 %	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
Deertongue leaf absolute	Liatris odoratissima (Walt.) Willd.	68606-82-6	2
Tonka Bean absolute	Dipteryx odorata (Aubl.) Willd.	8024-04-1	0,05
Balsam oil, Peru	Myroxylon balsamum (L.) Harms var. pereirae (Royle) Harms	8007-00-9	0,03
Cassia bark extract	Cinnamomum cassia Blume	8007-80-5	0,15
Cassia oil	Cinnamomum cassia Blume	8007-80-5	0,3
Cinnamon bark extract	Cinnamomum spp.	8015-91-6	0,3
Cinnamon bark oil	Cinnamomum spp.	8015-91-6	0,66
Cinnamon bark oil, Laos	Cinnamomum loureiroi Nees	97659-68-2	3
Cinnamon leaf oil	Cinnamomum zeylanicum Blume	8015-91-6	0,3
Deertongue leaf absolute	Liatris odoratissima (Walt.) Willd.	68606-82-6	25
Flouve oil	Anthoxanthum odorantum L.	68916-09-6	0,8
Hay absolute	Lolium perenne. L	8031-00-3	8
Lavandin abrialis oil	Lavandula x intermedia abrialis	8022-15-9	0,1
Lavendin super	Lavandula x intermedia super	93685-88-2	0,1
Narcissus absolute	Narcissus spp.	8023-75-4	1,2
Osmanthus absolute	Osmanthus fragrans Lour.	68917-05-5	0,02
Osmanthus concrete	Osmanthus fragrans Lour.	68917-05-5	0,02
Tonka Bean absolute	Dipteryx odorata (Aubl.) Willd.	8024-04-1	46,7

Annexe I :

Maximum usage according to the product category :
Ingredients containing
Ingredient Name	CAS N°	Estimated Concentration
Benzyl alcohol	100-51-6	0,1
Benzaldehyde	100-52-7	1
d,l-Citronellol	106-22-9	6
Geraniol	106-24-1	5
Farnesal	19317-11-4	0,01
Citral	5392-40-5	0,05
Methyl eugenol	93-15-2	0,5
Eugenol	97-53-0	2,3

Restriction type :

RESTRICTION

Cause of restriction :

DERMAL SENSITIZATION AND SYSTEMIC TOXICITY

Amendment :

49

Comments :

Quantitative limit on the use :

Cat.1	Cat.2	Cat.3	Cat.4	Cat.5A	Cat.5B	Cat.5C	Cat.5D	Cat.6
0,089 %	0,08 %	0,089 %	1,5 %	0,38 %	0,11 %	0,16 %	0,035 %	0,0024 %
Cat.7A	Cat.7B	Cat.8	Cat.9	Cat.10A	Cat.10B	Cat.11A	Cat.11B	Cat.12
0,18 %	0,18 %	0,035 %	0,52 %	0,52 %	1,6 %	0,035 %	0,035 %	33 %

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
Deertongue leaf absolute	Liatris odoratissima (Walt.) Willd.	68606-82-6	2
Tonka Bean absolute	Dipteryx odorata	8024-04-2	0,05
Balsam oil, Peru	Myroxylon balsamum (L.) Harms var. pereirae (Royle) Harms	8007-00-9	0,03
Cassia bark extract	Cinnamomum cassia Blume	8007-80-5	0,15
Cassia oil	Cinnamomum aromaticum Nees	8007-80-5	2
Cinnamon bark extract	Cinnamomum zeylanicum Blume	8015-91-6	0,3
Cinnamon bark oil	Cinnamomum zeylanicum Blume	8015-91-6	0,6
Cinnamon bark oil, Laos	Cinnamomum loureiroi Nees	97659-68-2	3
Cinnamon leaf oil	Cinnamomum zeylanicum Blume	8015-91-6	0,3
Deertongue leaf absolute	Liatris odoratissima (Walt.) Willd.	68606-82-6	25
Flouve absolute	Anthoxanthum odorantum L.	68916-09-6	2
Flouve absolute	Anthoxanthum odorantum L.	68916-09-6	2
Flouve oil	Anthoxanthum odorantum L.	68916-09-6	8
Hay absolute	Lolium perenne. L	8031-00-3	8
Lavandin abrialis oil	Lavandula x intermedia abrialis	8022-15-9	0,2
Lavendin super oil	Lavendula super	93685-88-2	0,1
Melilotus officinalis extract	Melilotus officinallis (L.) Pall.	8023-73-2	5
Narcissus poeticus absolute	Narcissus poeticus L.	68917-12-4	1,2
Osmanthus absolute	Osmanthus fragrans Lour.	68917-05-5	0,02
Osmanthus concrete	Osmanthus fragrans Lour.	68917-05-5	0,02
Tonka Bean absolute	Dipteryx odorata	8024-04-2	46,7

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 :

Coumarin is a key element in the composition of oriental and fougere notes. Allows to bring a gourmand and vanillic facet to all types of accords. Good fixator.

Other names :

chromen-2-one, benzo-alpha-pyrone, 2-oxo-1,2-benzopyran, 1-benzopyran-2-one, 1,2-benzopyrone, chromenone, coumarinic acid lactone, coumarinic anhydride, cumarin, ortho-hydroxycinnamic acid delta-lactone, ortho-hydroxycinnamic acid lactone, 3-(2-hydroxyphenyl)-2-propenoic lactone, tonka bean camphor

Other comments :

Coumarin is one of the 26 allergens in perfumery. Its smell is similar to Dihydrocoumarin and less fruity than Octahydrocoumarin. Its detection threshold is
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