Nootkatone (CAS N° 4674-50-4)​

Photo credits: ScenTree SAS

Fruity > Green Fruits > Grapefruit > Vetiver

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

Nootkatone (CAS N° 4674-50-4)​

Photo credits: ScenTree SAS

Company Ingredient Name ID Comments Naturality Certifications Purity Latin name Treated part Geographical origin MOQ
Quosentis logo
Nootkatone - 30gr - Visit website Je me procure cet ingrédient - - - - - -
BASF logo
Isobionics® Nootkatone 98 - Visit website Je me procure cet ingrédient Molecule - - - - -

Nootkatone - 30gr

Certifications :

Isobionics® Nootkatone 98

Certifications :

Information Générales

General Presentation

  • CAS N° : 4674-50-4

  • EINECS number : 225-124-4

  • FEMA number : 3166

  • FLAVIS number : 07.089

  • JECFA number : 1398

  • Appearance : White solid

  • Density : 0,997

  • Volatility : Heart

  • Price Range : €€€€€

Physico-chemical properties

  • Molecular formula : C15H22O

  • Molecular Weight : 218,34 g/mol

  • Log P : 3,8

  • Fusion Point : 32°C

  • Boiling Point : 170°C (à 0,5 mmHg)

  • Detection Threshold : Entre 170 et 800 ppb (0,00008%) selon les personnes

  • Optical rotation : Donnée indisponible

  • Vapor pressure : Donnée indisponible

  • Refractive Index @20°C : Donnée indisponible

  • Acid Value : Donnée indisponible.

  • Flash Point : 110°C

Utilisation

Uses

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.

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.

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.

Synthesis route :

Nootkatone is synthesized by oxidation of a compound with a similar structure: Valencene, which can be isolated from Sweet Orange EO.

Utilisation

Regulations & IFRA

Allergens :

This ingredient does not contain any allergen.

IFRA 51th :

This ingredient is restricted by the 51th amendment

    IFRA's logo
  • Restriction type : SPECIFICATION

  • Cause of restriction : DERMAL SENSITIZATION

  • Amendment : 40

  • Specified ingredients: notes
    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.
    Contributions from other sources
    Nootkatone is found in natural extracts, but its natural contributions are not relevant for the fragrance ingredient specification mentioned above.

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