rhubarb undecane
bonarox

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  CODE101821 CODE101821
  Product(s):
  87641-24-5 2'-Methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]

Name: 2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane] CAS Number: 87641-24-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 289-330-6 FDA UNII: Search Nikkaji Web: J334.008B XlogP3-AA: 2.40 (est) Molecular Weight: 182.26286000 Formula: C11 H18 O2 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 Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.04900 @ 25.00 °C. Refractive Index: 1.48200 to 1.48400 @ 20.00 °C. Boiling Point: 67.00 to 70.00 °C. @ 1.70 mm Hg Vapor Pressure: 0.113000 mmHg @ 25.00 °C. (est) Flash Point: 200.00 °F. TCC ( 93.33 °C. ) logP (o/w): 2.334 (est) Soluble in:   alcohol   water, 63.47 mg/L @ 25 °C (est) Insoluble in:   water Stability:   alkalis   Organoleptic Properties: Odor Type: fruity Odor Strength:medium , recommend smelling in a 10.00 % solution or less Substantivity:48 hour(s) at 100.00 % fruity green rhubarb celery galbanum Odor Description:at 10.00 % in dipropylene glycol. fruity green rhubarb celery galbanum Luebke, William tgsc, (1985) Odor sample from: Henkel Corporation Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. 2'-Methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]   Safety Information: European information : Most important hazard(s): Xi - Irritant R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.   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: oral-mouse LD50 500 mg/kg Henkel Corporation 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 rhubarb undecane usage levels up to:   2.0000 % in the fragrance concentrate.   Recommendation for rhubarb undecane flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):87641-24-5 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :163546 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane] Chemidplus:0087641245   References:   2-methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane] NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 87641-24-5 Pubchem (cid): 163546 Pubchem (sid): 135119469   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 aldehydic dodecanal (aldehyde C-12 lauric) FL/FR 2- methyl undecanal (aldehyde C-12 mna) FL/FR amber amber oxepin FR ambrette seed oil FL/FR ambroxan FL/FR angelica root oil FL/FR cistus ladaniferus resinoid FL/FR animal iso butyl quinoline FR costus valerolactone FR methyl (E)-2-octenoate FL/FR anisic para- anisaldehyde FL/FR balsamic iso amyl benzoate FL/FR amyris wood oil FL/FR siam benzoin resinoid FL/FR benzophenone FR benzyl benzoate FL/FR benzyl salicylate FL/FR laevo- bornyl acetate FL/FR iso bornyl acetate FL/FR iso butyl benzoate FL/FR iso butyl cinnamate FL/FR cinnamyl alcohol FL/FR ethyl cinnamate FL/FR fir balsam absolute FR fir carboxylate FR hexyl cinnamate FR mastic gum resin FR methyl (E)-cinnamate FL/FR myrrh oil FL/FR 3- phenyl propyl alcohol FL/FR berry raspberry ketone FL/FR citrus bergamot oil bergaptene reduced italy FL/FR (R)- citronellyl nitrile FR citrus specialty FR grapefruit pentanol FR 2- heptanol FL/FR rhubafuran FR coconut gamma- heptalactone FL/FR gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR earthy methyl undecylenate FL/FR ethereal cyclohexyl formate FL/FR fatty coconut absolute FL/FR decanol FL/FR 3- decen-2-one FL/FR hexyl pivalate FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR floral acetophenone FL/FR alpha- amyl cinnamaldehyde FL/FR alpha- amyl cinnamaldehyde diethyl acetal FR iso amyl salicylate FL/FR bois de rose oil brazil FL/FR boronia absolute FL/FR iso butyl salicylate FL/FR cassis cyclohexene FR citronellol FL/FR coriander seed oil FL/FR cyclamen aldehyde FL/FR gamma- damascone FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR dimethyl benzyl carbinol FL/FR dimethyl benzyl carbinyl acetate FL/FR dimethyl benzyl carbinyl butyrate FL/FR 6,8- dimethyl-2-nonanol FR ethyl phenyl acetate FL/FR floral pyranol FR gardenia decalone FR (E)- geranyl acetone FL/FR geranyl formate FL/FR geranyl isobutyrate FL/FR heliotropin FL/FR heliotropyl acetone FL/FR heliotropyl diethyl acetal FR (Z)-3- hexen-1-yl salicylate FL/FR alpha- hexyl cinnamaldehyde FL/FR hexyl lactate FL/FR hexyl nonanoate FL/FR ho leaf oil FR hyacinth ether FR hydroxycitronellal FL/FR jasmin cyclopentanol FR (Z)- jasmone FL/FR leerall FR linalool FL/FR laevo- linalool FL/FR linalool oxide FL/FR (2- methoxy-1-methyl propyl) benzene FR para- methyl acetophenone FL/FR para- methyl benzyl acetate FL/FR methyl dihydrojasmonate FL/FR muguet carboxaldehyde FR nerolidol FL/FR ocean propanal FL/FR orris pyridine 25% IPM FR papaya isobutyrate FL/FR phenethyl alcohol FL/FR phenethyl phenyl acetate FL/FR phenethyl salicylate FL/FR rhodinol FL/FR rose butanoate FL/FR tetrahydrolinalool FL/FR tilia cordata flower oil CO2 extract FR fruity allyl amyl glycolate FR allyl butyrate FL/FR 3- allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane FR iso amyl butyrate FL/FR 3- butyl bicyclo[3.2.1]-6-octen-2-one FR iso butyl octanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR 1,4- dibutyl-6,8-dioxabicyclo(3.2.1)octane FR diethyl malonate FL/FR dimethyl succinate FL/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 fruity cyclopentanone FR geranyl ethyl ether FL/FR geranyl isovalerate FL/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 methyl heptanoate FL/FR methyl octadienoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR nerolidyl isobutyrate FR (Z)-6- nonenal dimethyl acetal FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentyl furan FL/FR 3- phenyl propyl hexanoate FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR prenyl hexanoate FL/FR (E,E)- sorbyl butyrate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical ionone FL/FR tropical specialty FR tropical thiazole FL/FR tropical trithiane FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit extract FL/FR actinidia chinensis fruit water FR allyl phenethyl ether FR black currant bud absolute replacer FL/FR alpha- decalactone FL/FR diphenyl oxide 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 (Z)-3- hexen-1-yl benzoate 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 (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 methyl (E)-3-hexenoate FL/FR neogall FR (E)-2- pentenal FL/FR phenyl acetaldehyde dimethyl acetal FL/FR 3- phenyl propionaldehyde FL/FR propylene acetal FL/FR (E,E)- sorbyl isobutyrate FL/FR sorbyl isobutyrate FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR thiogeraniol FL/FR violet dienyne FR hay hay absolute FR herbal carum carvi fruit oil FL/FR clary sage oil france FL/FR daucus carota fruit oil FL/FR linalyl acetate FL/FR 6- methoxy-2,6-dimethyl octanal FR (1S,5R)- myrtenyl acetate FL/FR nopyl acetate FR 2- pentyl acetate FL/FR tagete oil india FL/FR tricyclodecyl acetate FR viridiflorol FL/FR minty carvyl acetate FL/FR mossy veramoss (IFF) FR naphthyl beta- naphthyl ethyl ether FL/FR powdery para- anisyl alcohol FL/FR spicy benzyl isoeugenol FL/FR cassia bark oil china FL/FR cinnamyl propionate FL/FR clove bud oil FL/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 4- ethyl guaiacol FL/FR eugenol FL/FR iso eugenyl acetate FL/FR alpha- methyl cinnamaldehyde FL/FR methyl isoeugenol FL/FR pimenta acris leaf oil FL/FR sulfurous 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR terpenic cypress leaf oil FR alpha- terpineol FL/FR thujonic armoise oil FR sage oil dalmatian FL/FR tonka coumarin FR gamma- hexalactone FL/FR tonka bean absolute FR tropical cis- galbanum oxathiane FL/FR vanilla ethyl vanillin FL/FR vanilla bean absolute (vanilla planifolia) FL/FR vanillyl acetate FL/FR waxy 1- dodecanol FL/FR ethyl laurate FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR winey methyl 3-acetoxyoctanoate FL/FR woody amber carbinol FR cedryl methyl ether FR cistus twig/leaf oil FL/FR frankincense resinoid FL/FR guaiacwood oil FL/FR gurjun balsam oil FR patchouli ethanone FR patchouli oil FL/FR santall FR spruce needle oil canada FL/FR thuja occidentalis leaf oil FL/FR tobacarol (IFF) FR verdoxan FR vetiver oil haiti FL/FR woody acetate FR (Z)- woody amylene FR woody propanol FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR iso butyl octanoate FL/FR cinnamyl hexanoate FL/FR cistus ladaniferus resinoid FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR ethyl 2-hexenoate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate 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 methyl (E)-2-hexenoate FL/FR methyl (E)-cinnamate FL/FR methyl 2-hexenoate FL/FR methyl 3-acetoxyoctanoate FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR (E)- methyl geranate FL/FR methyl octadienoate FL/FR 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR propylene acetal FL/FR (E,E)- sorbyl butyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR viridiflorol FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR amber ambrette seed oil FL/FR balsamic siam benzoin resinoid FL/FR benzyl benzoate FL/FR benzyl salicylate FL/FR laevo- bornyl acetate FL/FR iso butyl cinnamate FL/FR ethyl cinnamate FL/FR myrrh oil FL/FR berry heliotropyl acetone FL/FR heptyl isobutyrate FL/FR raspberry ketone FL/FR cherry heliotropin FL/FR citrus bergamot oil bergaptene reduced italy FL/FR linalool FL/FR laevo- linalool FL/FR alpha- terpineol FL/FR coconut gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR cooling iso butyl salicylate FL/FR manzanate (Givaudan) FL/FR creamy para- anisaldehyde FL/FR gamma- hexalactone FL/FR para- methyl acetophenone FL/FR dairy 2- pentyl acetate FL/FR estery ethyl acetoacetate FL/FR fatty coconut absolute FL/FR ethyl (E)-4-decenoate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR floral bois de rose oil brazil FL/FR cinnamyl propionate FL/FR citronellol FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR dimethyl benzyl carbinyl acetate FL/FR dimethyl benzyl carbinyl butyrate FL/FR (E)- geranyl acetone FL/FR geranyl isobutyrate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR linalyl acetate FL/FR methyl dihydrojasmonate FL/FR ocean propanal FL/FR phenethyl alcohol FL/FR rhodinol FL/FR tetrahydrolinalool FL/FR tropical ionone FL/FR fruity iso amyl benzoate FL/FR para- anisyl alcohol FL/FR boronia absolute FL/FR iso butyl benzoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR black currant bud absolute replacer 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 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 methyl (E)-2-octenoate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR octen-1-yl cyclopentanone FL/FR 3- phenyl propyl hexanoate FL/FR pineapple pentenoate FL/FR rose butanoate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical trithiane FL/FR green actinidia chinensis fruit extract FL/FR allyl butyrate FL/FR iso amyl salicylate FL/FR angelica root oil FL/FR cinnamyl alcohol FL/FR cyclamen aldehyde FL/FR cyclohexyl formate FL/FR 3- decen-2-one FL/FR diphenyl oxide FL/FR cis- galbanum oxathiane 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 (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl salicylate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl (E)-tiglate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR linalool oxide FL/FR methyl (E)-3-hexenoate FL/FR nerolidol FL/FR papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR phenyl acetaldehyde dimethyl acetal FL/FR 3- phenyl propionaldehyde FL/FR thiogeraniol FL/FR herbal carum carvi fruit oil FL/FR clary sage oil france FL/FR coriander seed oil FL/FR daucus carota fruit oil FL/FR tagete oil india FL/FR honey ethyl phenyl acetate FL/FR phenethyl phenyl acetate FL/FR lactonic gamma- heptalactone FL/FR medicinal dimethyl benzyl carbinol FL/FR phenethyl salicylate FL/FR minty carvyl acetate FL/FR powdery acetophenone FL/FR beta- naphthyl ethyl ether FL/FR soapy dodecanal (aldehyde C-12 lauric) FL/FR 1- dodecanol FL/FR spicy benzyl isoeugenol FL/FR cassia bark oil china FL/FR clove bud oil FL/FR eugenol FL/FR iso eugenyl acetate FL/FR alpha- methyl cinnamaldehyde FL/FR methyl isoeugenol FL/FR 3- phenyl propyl alcohol FL/FR pimenta acris leaf oil FL/FR thujonic sage oil dalmatian FL/FR tropical alpha- amyl cinnamaldehyde FL/FR vanilla ethyl vanillin FL/FR vanilla bean absolute (vanilla planifolia) FL/FR vanillyl acetate FL/FR waxy iso amyl butyrate FL/FR decanol FL/FR ethyl laurate FL/FR alpha- hexyl cinnamaldehyde FL/FR hydroxycitronellal FL/FR 2- methyl undecanal (aldehyde C-12 mna) FL/FR methyl undecylenate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR woody ambroxan FL/FR amyris wood oil FL/FR iso bornyl acetate FL/FR cistus twig/leaf oil FL/FR 4- ethyl guaiacol FL/FR frankincense resinoid FL/FR guaiacwood oil FL/FR (Z)- jasmone FL/FR (1S,5R)- myrtenyl acetate FL/FR patchouli oil FL/FR spruce needle oil canada FL/FR thuja occidentalis leaf oil FL/FR vetiver oil haiti FL/FR   Potential Uses: FR amber FR angel essence FR animal FR balsam FR cedar FR clean linen   diffusion FR floral FR galbanum FR green FR herbal FR incense FR leather FR moss FR musk FR oriental FR patchouli FR rain FR rhubarb FR sandalwood FR vetiver FR woody   Occurrence (nature, food, other):note   not found in nature   Synonyms:   bonarox 2,4- dioxa-3-methyl-7,10-methanospiro-undecane 2,4- dioxa-3-methyl-7,10-methanospiro(5.5)undecane 2- methyl spiro(bicyclo(2.2.1)heptane-2,5'-(1,3) dioxane) 2'- methyl spiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane)   methyl spirobicycloheptane dioxane 2'- methylspiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane) 2- methylspiro[1,3-dioxane-5,6'-bicyclo[2.2.1]heptane] 2'- methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]   rhubarb undecane   spiro(bicyclo(2.2.1)heptane-2,5'-(1,3)dioxane), 2'-methyl-   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Notes: None found