(+)-nootkatone

(+)-nootkatone

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(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one

1 CAS Related Materials

Ingredient	Name Detail	CAS
nootkatone complex	(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one complex	4674-50-4

Identifiers

CAS (Single)	4674-50-4
FEMA	3166
EINECS	225-124-4
Synonyms	(+)-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 4betaH,5alpha- eremophila-1(10),11-dien-2-one 1(10),11- eremophiladien-2-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 distilled 50% nootkatone ex citrus 50% (natural) nootkatone ex citrus 70% (natural) nootkatone ex grapefruit (natural) nootkatone ex-citrus 50% natural nootkatone ex-citrus 70% natural nootkatone, 50 - 60%, natural nootkatone, 60 - 70%, natural nootkatone, 70 - 80%, natural nootkatone, 80 - 85%, natural nootkatone, 85 - 87%, natural (4R,4aS,6R)-6-iso propenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
JECFA Food Flavoring	1398
JECFA Food Additive	N/A
DG SANTE Food Flavourings	07.089 (+)-nootkatone
DG SANTE Food Contact Materials	N/A
FDA UNII	IZ2Y119N4J
CoE Number	11164
XlogP3-AA	N/A
Molecular Weight	218.33954
Molecular Formula	C15 H22 O

Organoleptic

Organoleptic Notes	1. Odor Type: citrus Odor Strength:medium Substantivity:236 hour(s) at 20.00 % in dipropylene glycol grapefruit peel citrus gardenia woody Odor Description:at 100.00 %. grapefruit peel citrus gardenia woodyLuebke, William tgsc, (1988) Odor sample from: Bedoukian Research, Inc. grapefruit citrus orange sweet peely woody Odor Description:Grapefruit, citrus, orange, sweet peely with a woody nuanceMosciano, Gerard P&F 15, No. 3, 51, (1990)
Odor	citrus grapefruit, peel, citrus, gardenia, woody, orange, sweet, peely
Flavor	citrus grapefruit, citrus, orange, bitter,

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Properties

Food Chemicals Codex Listed	No
Appearance	white crystals (est)
Assay	93.00 to 100.00 sum of isomers
Specific Gravity	1.00300 to 1.03200 @ 25.00 °C.
Lbs/Gal (est)	8.346 to 8.587
Refractive Index	1.51000 to 1.52300 @ 20.00 Â°C.
Melting Point	32.00 to 37.00 Â°C. @ 760.00 mm Hg
Boiling Point	N/A
Flash Point	> 200.00 Â°F. TCC ( > 93.33 Â°C. )
Acid Value	3.00 max. KOH/g
Vapor Pressure	0.000358 mmHg @ 25.00 Â°C. (est)
Vapor Density	N/A
logP (o/w)	3.840 (est)
Soluble In	alcohol dipropylene glycol water, very slightly water, 2.375 mg/L @ 25 °C (est) water
Occurrence	bergamot oil @ 0.010-0.095% bergamot oil @ trace% bergamot peel blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.036% blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.014% blood orange oil italy @ 0.022% grapefruit grapefruit oil c.p. @ 0.07% grapefruit oil c.p. @ 0.13% grapefruit oil c.p. @ 0.26% grapefruit oil c.p. italy @ 0.54% grapefruit oil c.p. russia @ 0.10% grapefruit oil c.p. russia @ 0.18% grapefruit oil c.p. russia @ 0.18% grapefruit oil c.p. russia @ 0.35% grapefruit oil california @ 0.60% grapefruit oil CO2 extract @ 5.19% lemon lime mandarin oil uruguay @ 0.01% mikan peel oil @ 0.03% orange fruit orange oil terpeneless @ 1.40% orange peel oil sweet c.p. blond italy @ 0.011% orange peel oil sweet c.p. blond italy @ 0.013% orange peel oil sweet c.p. blond italy @ 0.014% orange peel oil sweet c.p. blond italy @ 0.018% orange peel oil sweet c.p. blond italy @ 0.029% orange peel oil sweet c.p. florida @ 0.01% orange peel oil sweet c.p. valencia @ 0.01% tangerine fruit valerian root oil CO2 extract china @ 26.56% wormwood oil annus france @ 0.00-0.82%