Nootkatone (CAS N° 4674-50-4)​

Photo credits: ScenTree SAS

Nootkatone

Fruity > Green Fruits > Grapefruit > Vetiver

(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 Learn more Naturality Certifications MOQ Purity
PCW logo NOOTKATONE
NOOT-1
Discover - 10 grs 98 - 100
Quosentis logo Nootkatone - 30gr Discover - 30grs -
Tilley Distribution logo Nootkanone natural Discover Natural Aroma Chemicals - -
BASF logo Isobionics® Nootkatone 98 Discover Molecule Certifications : Biodegradable (Readily) Certifications : Halal Certifications : Kasher - -
PCW logo
NOOTKATONE

NOOT-1

Discover
Quosentis logo
Nootkatone - 30gr
Discover
Tilley Distribution logo
Nootkanone natural
Discover
BASF logo
Isobionics® Nootkatone 98
Discover
General Presentation

General Presentation

  • CAS N° :

    4674-50-4
  • EINECS number :

    225-124-4
  • FEMA number :

    3166
  • FLAVIS number :

    7,089
  • JECFA number :

    1398
  • Volatility :

    Heart
  • Price Range :

    €€€€€
Physico-chemical properties

Physico-chemical properties

  • Appearance :

    White solid
  • Density :

    0,997
  • Refractive Index @20°C :

    Donnée indisponible.
  • Optical rotation :

    Donnée indisponible.
  • Vapor pressure :

    0,00118 mmHg @23°C
  • Flash Point :

    110°C (230°F)
  • Molecular formula :

    C15H22O
  • Molecular Weight :

    218,34 g/mol
  • Log P :

    3,8
  • Fusion Point :

    32°C (89,6°F)
  • Boiling Point :

    170°C (338°F)
  • Detection Threshold :

    Entre 170 et 800 ppb (0,00008%) selon les personnes
Chemistry & Uses

Chemistry & 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.

Stability :

Stable in perfumes and diverse functional bases

Other comments :

Nootkatone is the compound that gives Grapefruit EO its characteristic smell.

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