dehydronootkatone
4betaH,5alpha-eremophila-1(10),8,11-trien-2-one

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Name: (4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one CAS Number: 5090-63-1 3D/inchi FDA UNII: T1450990SD Nikkaji Web: J1.973.329G XlogP3-AA: 3.80 (est) Molecular Weight: 216.32360000 Formula: C15 H20 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 1862 dehydronootkatone FEMA Number: 4091 dehydronootkatone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 5090-63-1 ; DEHYDRONOOTKATONE   Physical Properties: Appearance: pale yellow to brown clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.00900 to 1.01900 @ 25.00 °C. Pounds per Gallon - (est).: 8.396 to 8.479 Refractive Index: 1.55900 to 1.56900 @ 20.00 °C. Boiling Point: 129.00 to 130.00 °C. @ 760.00 mm Hg Soluble in:   water, 3.715 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: citrus fruity citrus grapefruit Odor Description:at 100.00 %. fruity citrus grapefruit Flavor Type: citrus grapefruit Taste Description: grapefruit Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. DEHYDRONOOTKATONE Parchem dehydronootkatone Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for dehydronootkatone usage levels up to:   not for fragrance use.   Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 22 Click here to view publication 22   average usual ppm average maximum ppm baked goods: 1.50000 5.00000 beverages(nonalcoholic): 0.50000 1.50000 beverages(alcoholic): 0.50000 1.50000 breakfast cereal: - - cheese: - - chewing gum: 5.00000 10.00000 condiments / relishes: - - confectionery froastings: 0.50000 2.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.50000 1.50000 fruit ices: 0.50000 1.50000 gelatins / puddings: - - granulated sugar: 0.10000 0.50000 gravies: - - hard candy: 1.00000 5.00000 imitation dairy: - - instant coffee / tea: 0.10000 0.50000 jams / jellies: 0.50000 1.50000 meat products: - - milk products: 0.50000 1.50000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 0.50000 1.50000 snack foods: - - soft candy: 1.00000 5.00000 soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :71586808 National Institute of Allergy and Infectious Diseases:Data (4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one Chemidplus:0005090631   References:   (4R,4aS,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 71586808 Pubchem (sid): 135299986   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): Search FooDB: FDB009276 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aldehydic (Z)-4- dodecenal FL/FR tridecanal FL/FR anisic ethyl para-anisate FL/FR citrus beta- bisabolol FL/FR citral dimethyl acetal FL/FR citrus grandis fruit extract FL/FR citrus grandis peel oil FL/FR citrus paradisi peel extract FL/FR citrus paradisi peel oil bergaptene reduced FL/FR citrus paradisi peel oil washed FL/FR citrus paradisi peel water FL/FR 2- dodecanone FL/FR grapefruit carbonyls FL/FR grapefruit essence FL/FR grapefruit mercaptan FL/FR grapefruit oil FL/FR grapefruit oil c.p. argentina FL/FR grapefruit oil c.p. california FL/FR grapefruit oil c.p. florida FL/FR grapefruit oil c.p. israel FL/FR grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo) FL/FR grapefruit oil folded FL/FR grapefruit oil folded california FL/FR grapefruit oil folded florida FL/FR grapefruit oil replacer FL/FR grapefruit oil terpeneless FL/FR grapefruit oil terpenes FL/FR lemon oil residues FL/FR 5- mercapto-5-methyl-3-hexanone FL/FR (Z+E)-2- methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde FL/FR 1- methyl-4-methyl ethenyl cyclohexene sulfurized FL/FR (+)- nootkatone FL/FR wild sweet orange peel oil west indian FL/FR alpha- terpinyl methyl ether FL/FR (±)-2,4,8- trimethyl-7-nonen-2-ol FL/FR valencene FL/FR creamy 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR ethereal ethyl acetate FL/FR 2- methyl valeraldehyde FL/FR floral allyl anthranilate FL/FR amyl anthranilate FL/FR bursera graveolens wood oil FL/FR citronellyl acetate FL/FR beta- damascenone FL/FR dimethyl anthranilate FL/FR ethyl anthranilate FL/FR ethyl ortho-anisate FL/FR geranyl tiglate FL/FR linalyl anthranilate FL/FR beta- naphthyl anthranilate FL/FR neryl acetate FL/FR neryl isovalerate FL/FR petitgrain grapefruit oil FL/FR petitgrain mandarin oil FL/FR petitgrain mandarin oil terpeneless FL/FR phenethyl anthranilate FL/FR 4- phenyl-3-buten-2-ol FL/FR terpinyl formate FL/FR fruity acetoin acetate FL/FR iso amyl 2-methyl butyrate FL/FR iso butyl 2-methyl butyrate FL/FR iso butyl anthranilate FL/FR butyl anthranilate FL/FR iso butyl methyl anthranilate FL/FR (E)- cinnamyl propionate FL/FR cyclohexyl anthranilate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl citronellate FL/FR ethyl propionate FL/FR grape butyrate FL/FR grape essence FL/FR 3- hexanone FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR methyl 2-methyl valerate FL/FR methyl acetoacetate FL/FR methyl anthranilate FL/FR neryl propionate FL/FR (Z)-3- octen-1-yl propionate FL/FR 3- phenyl propyl isobutyrate FL/FR propyl heptanoate FL/FR tropical trithiane FL/FR green (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR dextro- limonene oxide FL/FR herbal 6- acetoxydihydrotheaspirane FL/FR 2- dodecenal FL/FR (1S,5R)- myrtenyl acetate FL/FR 3- octyl acetate FL/FR alpha- terpinyl acetate FL/FR minty ethyl benzoate FL/FR naphthyl beta- naphthyl ethyl ether FL/FR pulpy grapefruit isolate FL/FR spicy cinnamyl propionate FL/FR sulfurous ethyl 3-mercaptopropionate FL/FR grapefruit menthane FL/FR 4- methoxy-2-methyl butane thiol FL/FR 3- thiohexanol FL/FR 4- tropical oxathiane FL/FR waxy 3- decanone FL/FR ethyl decanoate FL/FR ethyl nonanoate FL/FR For Flavor No flavor group found for these 6- acetoxydihydrotheaspirane FL/FR allyl anthranilate FL/FR amyl anthranilate FL/FR bursera graveolens wood oil FL/FR iso butyl methyl anthranilate FL/FR (E)- cinnamyl propionate FL/FR beta- cubebene FL 3- decanone FL/FR dihydronootkatone FL (Z)-4- dodecenal FL/FR ethyl 3-mercaptopropionate FL/FR ethyl ortho-anisate FL/FR lemon oil residues FL/FR 4- mercapto-4-methyl-2-pentanol FL 5- mercapto-5-methyl-3-hexanone FL/FR 3- mercaptooctanal FL methyl acetoacetate FL/FR (Z+E)-2- methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde FL/FR dextro- limonene oxide FL/FR anise anise ethyl para-anisate FL/FR citrus beta- bisabolol FL/FR citral dimethyl acetal FL/FR citrus grandis fruit extract FL/FR citrus grandis peel oil FL/FR citrus paradisi peel extract FL/FR citrus paradisi peel oil bergaptene reduced FL/FR citrus paradisi peel oil washed FL/FR citrus paradisi peel water FL/FR grapefruit carbonyls FL/FR grapefruit essence FL/FR grapefruit flavor FL pink grapefruit flavor FL grapefruit green flavor FL grapefruit juice FL grapefruit key FL grapefruit mercaptan FL/FR grapefruit oil FL/FR grapefruit oil c.p. argentina FL/FR grapefruit oil c.p. california FL/FR grapefruit oil c.p. florida FL/FR grapefruit oil c.p. israel FL/FR grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo) FL/FR grapefruit oil folded FL/FR grapefruit oil folded california FL/FR grapefruit oil folded florida FL/FR grapefruit oil replacer FL/FR grapefruit oil sesquiterpeneless FL grapefruit oil terpeneless FL/FR grapefruit oil terpenes FL/FR lemon carbonyls FL 3- mercaptoheptyl acetate FL 1- methyl-4-methyl ethenyl cyclohexene sulfurized FL/FR (+)- nootkatone FL/FR wild sweet orange peel oil west indian FL/FR petitgrain grapefruit oil FL/FR petitgrain mandarin oil FL/FR pomelo essence oil FL pomelo flavor FL (±)-2,4,8- trimethyl-7-nonen-2-ol FL/FR valencene FL/FR dusty ethyl citronellate FL/FR earthy (±)-2- mercapto-5-methylheptan-4-one FL ethereal ethyl acetate FL/FR fatty (E,E)-2,4- dodecadienal FL 2- dodecanone FL/FR 2- dodecenal FL/FR floral cinnamyl propionate FL/FR citronellyl acetate FL/FR geranyl tiglate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR linalyl anthranilate FL/FR neryl acetate FL/FR phenethyl anthranilate FL/FR fruity acetoin acetate FL/FR iso amyl 2-methyl butyrate FL/FR iso butyl 2-methyl butyrate FL/FR iso butyl anthranilate FL/FR butyl anthranilate FL/FR cyclohexyl anthranilate FL/FR dimethyl anthranilate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl anthranilate FL/FR ethyl propionate FL/FR furfuryl butyrate FL furfuryl isovalerate FL grape concentrate FL grape enhancer FL grape essence FL/FR white grape flavor FL concord grape flavor FL grape flavor FL muscatine grape flavor FL green grape flavor FL red grape flavor FL grape juice concentrate FL 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR 3- hexanone FL/FR mango papaya grapefruit flavor FL methyl 2-methyl valerate FL/FR methyl anthranilate FL/FR beta- naphthyl anthranilate FL/FR neryl isovalerate FL/FR (Z)-3- octen-1-yl propionate FL/FR petitgrain mandarin oil terpeneless FL/FR 3- phenyl propyl isobutyrate FL/FR terpinyl formate FL/FR 4- tropical oxathiane FL/FR tropical trithiane FL/FR green grape butyrate FL/FR (E)-2- heptenal FL (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR neryl propionate FL/FR 3- octyl acetate FL/FR medicinal ethyl benzoate FL/FR musty propionaldehyde FL powdery beta- naphthyl ethyl ether FL/FR pulpy grapefruit isolate FL/FR sulfurous grapefruit menthane FL/FR 4- methoxy-2-methyl butane thiol FL/FR 3- thiohexanol FL/FR tropical anacardium occidentale fruit puree FL vegetable 2- methyl valeraldehyde FL/FR waxy ethyl decanoate FL/FR ethyl nonanoate FL/FR 4- phenyl-3-buten-2-ol FL/FR propyl heptanoate FL/FR tridecanal FL/FR woody beta- damascenone FL/FR (1S,5R)- myrtenyl acetate FL/FR alpha- terpinyl acetate FL/FR alpha- terpinyl methyl ether FL/FR   Potential Uses: FL citrus FL grapefruit   Occurrence (nature, food, other):note   found in nature   Synonyms: (4R,4aS,6S)-4,4a- dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one (4R-(4alpha,4aalpha,6beta))-5,6- dimethyl-8-isopropenyl bicyclo(4.4.0)-1,9-decadien-3-one 4betaH,5alpha- eremophila-1(10),8,11-trien-2-one 2(3H)- naphthalenone, 4,4a,5,6-tetrahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R-(4alpha,4aalpha,6beta))-   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]