ScenTree, la nouvelle encyclopédie des ingrédients de parfum.

Exploring the branches of scent

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Crédits photo: ScenTree SAS

CAS number :

81-14-1

EINECS number :

201-328-9

FEMA number :

Data not available.

JECFA number :

Data not available.

FLAVIS number :

Data not available.

Volatility :

Base

Appearance :

Yellow powder

Price Range :

€€

Stability :

Musks are very stable, as in alcoholic and in functional fragrances

Density :

1.205

Molecular formula :

C₁₄H₁₈N₂O₅

Molecular Weight :

294.31 g/mol

Flash Point :

212°F (100°C)

Log P :

Data not available.

Fusion Point :

275°F (135°C)

Boiling Point :

743°F (395°C)

Detection Threshold :

0.1 ng/L air

Crédits photo: ScenTree SAS

Year of discovery :

Patented in 1893 by Willem Mallmann and transferred to the Laire factories in 1896. The reason? W. Mallmann illegally produced this compound chemically very close to musk Xylene, itself patented by the Fabriques DeLaire in 1888.

Synthesis route :

Musk Ketone is synthesized from 1,3-dimethyl-5-tert-butylbenzene, by a Friedel-Craft acetylation, with chloroacetic acid and in the presence of aluminum chloride. This reaction is followed by a nitration of the obtained compound with nitric acid.

Synthesis precursor :

Musk Ketone is not a precursor to the synthesis of another compound of olfactory interest.

Isomerism :

Musk Ketone is a nitrated musk with no isomer used in perfumery.

Natural availability :

Musk Ketone is not available in its natural state.

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

Restriction type :

SPECIFICATIONS

Cause of restriction :

Amendment :

Comments :

Musk ketone should only be used if it contains less than 0.1% of musk xylene.

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

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 :

SPECIFICATION

Cause of restriction :

SEE FRAGRANCE INGREDIENT SPECIFICATION

Amendment :

45

Comments :

Musk xylene (CAS number 81-15-2), which has been prohibited for use in fragrance compounds for environmental reasons (vPvB), can be present in Musk ketone as an impurity. Musk ketone should only be used if it contains less than 0.1% of Musk xylene.

Quantitative limit on the use :

Cat.1	Cat.2	Cat.3	Cat.4	Cat.5A	Cat.5B	Cat.5C	Cat.5D	Cat.6

Cat.7A	Cat.7B	Cat.8	Cat.9	Cat.10A	Cat.10B	Cat.11A	Cat.11B	Cat.12

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/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 :

Musk Ketone is used in women perfumes for a powdery effect. Goes on well with white flowers accords.
Solubilization issues in alcohol.
Mostly used in fine fragrance, less and less beacause of its vintage connotation.

Other names :

1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone, 1-acetyl-4-(tert-butyl)-2,6-dimethyl-3,5-dinitrobenzene, 4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone, 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone, 4-tert-butyl-3,5-dinitro-2,6-dimethylacetophenone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-ethanone, ketone moschus, muskketone

Other comments :

Musk Ketone is part of the nitrated musk family. Since 1998, it is also the only nitrated musk authorized in perfumery. The others are considered to be toxic and are banned by the IFRA. It is however very probable that the regulatory authorities will prohibit it in the coming years because of the 'precautionary principle'. It is common to see anosmies on this musk.