1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanone
ethanone, 1-(3a,4,7,7a-tetrahydro-1H-inden-6-yl)-, cis- (9CI)

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CAS Number: 79044-50-1 3D/inchi FDA UNII: Search Molecular Weight: 162.23178000 Formula: C11 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:fragrance 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 Google Patents: Search US Patents: Search EU Patents: Search PubMed: Search NCBI: Search   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 270.50 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.007000 mmHg @ 25.00 °C. (est) Flash Point: 232.00 °F. TCC ( 111.30 °C. ) (est) logP (o/w): 2.347 (est) Soluble in:   water, 441.7 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: green green fruity floral melon Odor Description:at 10.00 % in dipropylene glycol. green fruity floral melon Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers:   None found   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: fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice   Recommendation for 1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanone flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry National Institute of Allergy and Infectious Diseases:Data   References: NIST Chemistry WebBook: Search Inchi Pubchem (cas): 79044-50-1   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 HMDB (The Human Metabolome Database): Search ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these ethyl (R)-2-methyl butyrate FL/FR aldehydic aldehydic 3- methyl-4-hexyl oxybutyraldehyde FR animal methyl (E)-2-octenoate FL/FR balsamic iso amyl benzoate FL/FR cinnamyl formate FL/FR fir carboxylate FR hexyl cinnamate FR berry currant fragrance FR gooseberry fragrance FR huckleberry fragrance FR mulberry fragrance FR citrus backhousia citriodora leaf oil FR (R)- citronellyl nitrile FR citronitrile (Symrise) FR citrus specialty FR 2- heptanol FL/FR ethereal cyclohexyl formate FL/FR fatty butyl undecylenate FL/FR 3- decen-2-one FL/FR hexyl pivalate FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde diethyl acetal FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR boronia absolute FL/FR boronia absolute replacer FL/FR boronia fragrance FR boronia specialty FR cassie specialty (acacia farnesiana) FR cassis cyclohexene FR cherry blossom fragrance FR (S)- citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR (E)- citronellyl tiglate FL/FR 3- cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester FR cymbopogon validus leaf oil FR gamma- damascone FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR dimethyl benzyl carbinyl acetate FL/FR 6,8- dimethyl-2-nonanol FR 3,6- dimethyl-3-octyl acetate FR ethyl 2-benzyl butyrate FL/FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR eucalyptus macarthurii oil FR geraniol FL/FR (E)- geranyl acetone FL/FR geranyl formate FL/FR geranyl isobutyrate FL/FR hexyl lactate FL/FR hexyl nonanoate FL/FR hibiscus fragrance FR hydroxycitronellal distillation residue distillates FR ionone mixed isomers FL/FR jasmin cyclopentanol FR jasmin cyclopentanone FR jasmin fragrance FR jasmin oil CO2 extract FL/FR jasmin specialty FR jasminum sambac flower oil CO2 extract FL/FR iso jasmone FL/FR (Z)- jasmone FL/FR linalyl butyrate FL/FR longoza absolute replacer FR magnolia flower oil CO2 extract FL/FR magnolia specialty FR menthadienyl formate FR (2- methoxy-1-methyl propyl) benzene FR ortho- methoxybenzyl ethyl ether FR methoxymelonal FL/FR 1-(2- methyl allyl oxy)-3-methoxy-3-methyl-1-butane FR para- methyl benzyl acetate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR white nelumbo nucifera flower absolute FR pink nelumbo nucifera flower absolute FR white nelumbo nucifera flower concrete FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome concrete replacer FR osmanthus absolute replacer FR osmanthus concrete FL/FR papaya isobutyrate FL/FR petitgrain mandarin oil FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR (S)- rhodinol FL/FR rhodinyl butyrate FL/FR rose undecene FR souroubea specialty FR star fruit oil cuba FL/FR stephanotis flower absolute replacer FR styralyl propionate FL/FR terpinyl valerate FL/FR tetrahydroionyl acetate FR tilia cordata flower oil CO2 extract FR fresh 3-(3- propen-2-yl phenyl) butanal FR fruity allyl amyl glycolate FR allyl benzoate FR allyl butyrate FL/FR 3- allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane FR iso amyl butyrate FL/FR red apple fragrance FR green apple fragrance FR apricot essence FL/FR benzaldehyde / methyl anthranilate schiff's base FR benzyl propionate FL/FR benzyl valerate FL/FR berry hexanoate FR butyl 2-naphthyl ether FL/FR 3- butyl bicyclo[3.2.1]-6-octen-2-one FR iso butyl furyl propionate FL/FR iso butyl octanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl hexanoate FL/FR citronellyl isobutyrate FL/FR 2- cyclopentyl cyclopentanone FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR decanal methyl enol ether FL/FR 1,4- dibutyl-6,8-dioxabicyclo(3.2.1)octane FR diethyl malonate FL/FR dimethyl succinate FL/FR (R)-gamma- dodecalactone FL/FR eriocephalus punctulatus flower oil FR ethyl (E)-3-hexenoate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl acetoacetate FL/FR endo- ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR fig crotonate FR fruity butanate FR geranyl ethyl ether FL/FR geranyl isovalerate FL/FR ginsene FR guava fragrance FR 2- heptyl butyrate FL/FR heptyl isobutyrate FL/FR heptyl valerate FR 2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR kiwi fragrance FR kiwi specialty FR linalool oxide acetates FL/FR malus sylvestris fruit oil CO2 extract FL/FR mango fragrance FR mango specialty FR melon fragrance FR 3- mercaptohexyl acetate FL/FR methyl 3-nonenoate FL/FR methyl bicycloheptenyl methyloxirane carboxylate FR methyl heptanoate FL/FR methyl isobutyrate FL/FR methyl octadienoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR myrascone FR nerolidyl isobutyrate FR 2- nonanone propylene glycol acetal FL/FR (Z)-6- nonenal dimethyl acetal FR alpha- ocimene FL/FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR papaya fragrance FR papaya specialty FR peach nitrile FR 2- pentyl furan FL/FR 3- phenyl propyl hexanoate FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR plum damascone (high alpha) FR prenyl hexanoate FL/FR rhubarb undecane FR sambucus canadensis fruit absolute FL/FR (E,E)- sorbyl butyrate FL/FR sorbyl butyrate FL/FR st. john's wort flower oil FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR (R)- styralyl acetate FL/FR tetrahydrofurfuryl butyrate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical specialty FR tropical thiazole FL/FR tropical trithiane FL/FR cis- woody acetate FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit extract FL/FR actinidia chinensis fruit water FR allyl phenethyl ether FR iso amyl 3-(2-furan) propionate FL/FR butyl heptanoate FL/FR green cognac oil FL/FR black currant bud absolute replacer FL/FR alpha- decalactone FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR galbanum specialty FR green dioxolane FR green note propionate FL/FR herbal cyclohexane FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexen-1-yl oxypropane nitrile FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexenal propylene glycol acetal FL/FR 3- hexenyl acetate FL/FR (Z)-3- hexenyl methyl ether FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR melon nonenoate FL/FR methyl (E)-3-hexenoate FL/FR neogall FR (E)-2- pentenal FL/FR picea abies leaf oil FR propylene acetal FL/FR sorbyl isobutyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR thiogeraniol FL/FR violet dienyne FR herbal blue grass fragrance FR chamomile isobutyrate FR chamomile propionate FR geranium cyclohexane FR marigold absolute (tagetes patula) FR 6- methoxy-2,6-dimethyl octanal FR methyl cyclogeranate (Firmenich) FR (1S,5R)- myrtenyl acetate FL/FR iso nonyl acetate FR 2- pentyl acetate FL/FR tagete oil india FL/FR tagete oil madagascar FL/FR tagete oil south africa FL/FR tricyclodecyl acetate FR viridiflorol FL/FR medicinal ortho- cresyl acetate FL/FR melon melon specialty FR mentholic laevo- menthyl acetate FL/FR minty carvyl acetate FL/FR powdery alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy cinnamyl propionate FL/FR crocus sativus stigma tincture FR 2,5- dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate FR spicy acetoacetate FL/FR sulfurous 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR tropical triflaige A (ZEON) FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR phytyl acetate FL/FR winey methyl 3-acetoxyoctanoate FL/FR woody 2- decalinyl acetate FR melozol acetate FR rhubarb oxirane FR verdoxan FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR iso amyl angelate FL/FR benzyl valerate FL/FR boronia absolute replacer FL/FR butyl 2-naphthyl ether FL/FR iso butyl octanoate FL/FR cinnamyl hexanoate FL/FR ortho- cresyl acetate FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR dihydrocitronellyl acetate FL/FR (R)-gamma- dodecalactone FL/FR ethyl (R)-2-methyl butyrate FL/FR ethyl 2-benzyl butyrate FL/FR ethyl 2-hexenoate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR ethyl ethyl anthranilate FL/FR geranyl ethyl ether FL/FR 2- heptyl butyrate FL/FR (E)-2- hexenal propylene glycol acetal FL/FR 3- hexenyl acetate FL/FR hexyl nonanoate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR malus sylvestris fruit oil CO2 extract FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 3-acetoxyoctanoate FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate FL/FR methyl octadienoate FL/FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR iso propyl benzoate FL/FR propylene acetal FL/FR (S)- rhodinol FL/FR (E,E)- sorbyl butyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR (R)- styralyl acetate FL/FR viridiflorol FL/FR iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR decanal methyl enol ether FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR berry heptyl isobutyrate FL/FR citrus petitgrain mandarin oil FL/FR styralyl propionate FL/FR cooling manzanate (Givaudan) FL/FR dairy 2- pentyl acetate FL/FR estery ethyl acetoacetate FL/FR ethereal methyl isobutyrate FL/FR fatty ethyl (E)-4-decenoate FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral cinnamyl propionate FL/FR (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR (E)- geranyl acetone FL/FR geranyl isobutyrate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR jasmin oil CO2 extract FL/FR jasminum sambac flower oil CO2 extract FL/FR linalyl butyrate FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR rhodinyl butyrate FL/FR fruity iso amyl benzoate FL/FR apricot essence FL/FR benzyl acetate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR boronia absolute FL/FR butyl heptanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR black currant bud absolute replacer FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl anthranilate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR 2- heptanol FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR hexyl lactate FL/FR methoxymelonal FL/FR methyl (E)-2-octenoate FL/FR methyl 3-nonenoate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR alpha- methyl ionone FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR 3- nonanon-1-yl acetate FL/FR octen-1-yl cyclopentanone FL/FR osmanthus concrete FL/FR phenethyl isovalerate FL/FR 3- phenyl propyl hexanoate FL/FR pineapple pentenoate FL/FR sambucus canadensis fruit absolute FL/FR sorbyl butyrate FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR tagete oil madagascar FL/FR tagete oil south africa FL/FR terpinyl valerate FL/FR tetrahydrofurfuryl butyrate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical trithiane FL/FR fusel green cognac oil FL/FR green actinidia chinensis fruit extract FL/FR allyl butyrate FL/FR (E)- citronellyl tiglate FL/FR cyclohexyl formate FL/FR 3- decen-2-one FL/FR geranyl formate FL/FR geranyl isovalerate FL/FR green note propionate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR hexyl (E)-tiglate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR iso jasmone FL/FR melon nonenoate FL/FR methyl (E)-3-hexenoate FL/FR papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR thiogeraniol FL/FR herbal tagete oil india FL/FR honey phenethyl isobutyrate FL/FR minty carvyl acetate FL/FR laevo- menthyl acetate FL/FR nutty phytyl acetate FL/FR spicy cinnamyl formate FL/FR spicy acetoacetate FL/FR tropical 3- mercaptohexyl acetate FL/FR waxy iso amyl butyrate FL/FR butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR woody (Z)- jasmone FL/FR methyl ionyl acetate FL/FR (1S,5R)- myrtenyl acetate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms:   ethanone, 1-(3a,4,7,7a-tetrahydro-1H-inden-6-yl)-, cis- (9CI)   Articles:   None found yet. 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Notes: None found

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