Nootkatone
(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one ; 1(10),11-eremophiladien-2-one ; 4,4alpha,5,6,7,8-hexahydro-6-isopropenyl-4,4alpha-dimethyl-2,3H-naphthalenone ; (4R,4aS,6R)-6-iso propenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Photo credits: ScenTree SAS
General Presentation
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CAS N° : : 4674-50-4
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EINECS number : 225-124-4
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FEMA number : 3166
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Density : 0,997
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Optical rotation : Lorem Ipsum
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Allergens : This ingredient does not contain any allergen.
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Refractive Index @20°C : Lorem Ipsum
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Volatility : Heart
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Price Range : €€€€€
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Appearance : White solid
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FLAVIS number : 07.089
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JECFA number : 1398
Information on synthetic ingredients
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Acid Value : Lorem Ipsum
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Boiling Point : 170°C (à 0,5 mmHg)
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Detection Threshold : Entre 170 et 800 ppb (0,00008%) selon les personnes
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Molecular formula : C15H22O
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Log P : 3,8
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Molecular Weight : 218,34 g/mol
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Fusion Point : 32°C
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Flash Point : 110°C
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Vapor pressure : Lorem Ipsum
Uses
Other comments :
Nootkatone is the compound that gives Grapefruit EO its characteristic smell.
Stability :
Stable in perfumes and diverse functional bases
Uses in perfumery :
Nootkatone can be used for fresh, citrusy or woody notes. Essential for a grapefruit note and to acidify rhubarb. Boosts top notes.
Year of discovery :
Data not available.
Isomerism :
Nootkatone has three asymmetric carbons, one of which guides its enantiomer. Both enantiomers of the molecule have a similar smell. The racemic mixture is most often used, provided that the racemic mixture of Valencene is also used to synthesize it.
Synthesis precursor :
Nootkatone is not a precursor to the synthesis of another compound of olfactory interest.
Natural availability :
Nootkatone can be isolated in its natural state from Grapefruit EO, which contains about 1 to 2%. Nevertheless, the Nootkatone used in perfumery is generally obtained synthetically.
Synthesis route :
Nootkatone is synthesized by oxidation of a compound with a similar structure: Valencene, which can be isolated from Sweet Orange EO.
Regulations & IFRA
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IFRA 51th : This ingredient is restricted by IFRA
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Restriction type : SPECIFICATION
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Cause of restriction : DERMAL SENSITIZATION
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Amendment : 40
Comments :
Nootkatone used as a fragrance ingredient should be at least 98% pure, with a melting point of at least 32°C. Lower purity grades may not be used as a fragrance ingredient. Nootkatone is found in natural extracts, but its natural contributions are not relevant for the fragrance ingredient specification mentioned above.
