Nootkatone
Aroma Chemical Heart Note CAS 4674-50-4
A fresh grapefruit note with a zesty citrus character and a soft woody facet. Essential for grapefruit accords, it boosts top notes and acidifies rhubarb.
Odor profile
| Note | Heart Note |
| Descriptor 1 | Citrus |
| Descriptor 2 | Grapefruit |
| Descriptor 3 | Woody |
| Impact Level | Medium |
| Tenacity2 | 236 h |
2 Source: The Good Scents Company
Identification
| CAS Number | 4674-50-4 |
| INCI Name | Nootkatone |
| Category | Aroma Chemical |
| Formula | C15H22O |
| Mol. Weight | 218.33 |
| IUPAC Name | (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| InChIKey | WTOYNNBCKUYIKC-JMSVASOKSA-N |
Synonyms
1(10),11-Eremophiladien-2-one, 4Betah,5alpha-eremophila-1(10),11-dien-2-one, 4betaH,5alpha-Eremorphila-1(10)11-dien-2-one, Nootkanone, (+/-)-, 3K3okv2a5a, 7betaH-Eremophila-1(10),11-dien-2-one -, 5,6-Dimethyl-8-isopropenylbicyclo(4.4.0)dec-1-en-3-one, (+)-, (+)-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydro-7-keto-3-isopropenyl naphthalene, 4alpha,5-dimethyl-1,2,3,4,4alpha,5,6,7-octahydro-7-keto-3-isopropenyl naphthalene, (4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one, (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one, (+)-5,6-dimethyl-8-isopropenyl bicyclo(4.4.0)dec-1-en-3-one, (4R- (4alpha,4aalpha,6beta))- 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methyl vinyl) naphthalen-2(3H)-one, 4,4a,5,6,7,8-hexahydro-6-isopropenyl-4,4a-dimethyl-2(3H)-naphthalenone, 4,4alpha,5,6,7,8-hexahydro-6-isopropenyl-4,4alpha-dimethyl-2,3H-naphthalenone, 2(3H)-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-, nootkatone 50-60% ex-valencene, nootkatone 50% (ex-grapefruit oil) (natural), nootkatone 55-60%, nootkatone 65-70%, nootkatone 65-70% ex grapefruit natural, nootkatone 65/70% (ex grapefruit oil) (natural), nootkatone 80-85% ex-valencene, nootkatone 90-95%, nootkatone 98% crystals, nootkatone crystals, nootkatone crystals, natural, nootkatone ex citrus 50% (natural), nootkatone ex citrus 70% (natural), nootkatone ex grapefruit (natural), nootkatone ex-citrus 50% natural, nootkatone ex-citrus 70% natural, 50 - 60%, natural, 60 - 70%, natural, 70 - 80%, natural, (+)-Nootkatone, (+/-)-Nootkatone, nootkatone, nootkatone, nootkatone, nootkatone distilled 50%
Physical and chemical data
| Boiling Point | 125 °C @ 0.5 mmHg |
| Melting Point | 36.5 °C |
| Flash Point | 100.0 °C |
| Density | 0.9963 |
| Refractive Index | 1.5253 |
| Vapor Pressure | 0.000358 mmHg @ 25.00 C. (est) |
| LogP | 3.9 |
| Solubility | Practically insoluble in water |
| Appearance | Colourless to pale yellow or orange coloured oily liquid; Powerful fruity sweet, citrusy, grapefruit peel oil like aroma |
Regulatory status
IFRA maximum concentrations
| Category | Use | Limit in the finished product |
|---|---|---|
| Category 1 | Lip products, toys | Not restricted |
| Category 2 | Deodorants, antiperspirants | Not restricted |
| Category 3 | Eye products | Not restricted |
| Category 4 | Fine fragrance | Not restricted |
| Category 5A | Body lotion | Not restricted |
| Category 5B | Face cream | Not restricted |
| Category 5C | Hand cream | Not restricted |
| Category 5D | Baby creams, oils | Not restricted |
| Category 6 | Oral care, mouthwash | Not restricted |
| Category 7A | Rinse-off hair products | Not restricted |
| Category 7B | Leave-on hair products | Not restricted |
| Category 8 | Intimate and baby wipes | Not restricted |
| Category 9 | Soap, shampoo, rinse-off | Not restricted |
| Category 10A | Household care, hand contact | Not restricted |
| Category 10B | Aerosol air fresheners | Not restricted |
| Category 11A | Intended skin contact | Not restricted |
| Category 11B | Minimal skin contact | Not restricted |
| Category 12 | No skin contact, candles | Not restricted |
| IFRA Amendment | 40 |
| Restriction Type | Specification |
| Critical Effect | Dermal Sensitization |
| Specification | 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. |
All figures on this page are guide values collected from public reference works and supplier declarations. They differ between batches, origins and qualities. The data sheet of your own supplier is always the authoritative document for the material you actually use.