bornyl butyrate
DL-bornyl butyrate

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  13109-70-1 Bornyl Butyrate

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Name: (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate CAS Number: 13109-70-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 236-036-0 FDA UNII: Y7PT44NK8A Nikkaji Web: J3.087.869H MDL: MFCD00135667 CoE Number: 9319 XlogP3: 4.10 (est) Molecular Weight: 224.34368000 Formula: C14 H24 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Racemate (±) = DL-Bornyl butyrate. CASrn in Register refers to (1R,2S,4R)-rel. Register name to be changed to DL-Bornyl butyrate (EFFA, 2011m). Category:flavor and 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 JECFA Food Flavoring: 1412 bornyl butyrate DG SANTE Food Flavourings: 09.319 DL-bornyl butyrate FEMA Number: 3907 bornyl butyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 13109-70-1 ; BORNYL BUTYRATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.98100 to 0.99100 @ 25.00 °C. Pounds per Gallon - (est).: 8.163 to 8.246 Refractive Index: 1.46200 to 1.46900 @ 20.00 °C. Boiling Point: 120.00 to 121.00 °C. @ 10.00 mm Hg Boiling Point: 247.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.018000 mmHg @ 25.00 °C. (est) Flash Point: 231.00 °F. TCC ( 110.56 °C. ) logP (o/w): 4.535 (est) Soluble in:   alcohol   water, slightly   water, 2.405 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: herbal herbal woody Odor Description:at 100.00 %. herbal woody Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Butanoic acid,(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- BOC Sciences For experimental / research use only. Bornyl Butyrate Parchem bornyl butyrate 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: flavor and 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 bornyl butyrate usage levels up to:   8.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (μg/capita/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I 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: 19 Click here to view publication 19   average usual ppm average maximum ppm baked goods: 2.00000 5.00000 beverages(nonalcoholic): 0.50000 1.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: 0.10000 0.10000 condiments / relishes: 0.10000 0.20000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 2.00000 4.00000 fruit ices: - - gelatins / puddings: 2.50000 5.00000 granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: 2.00000 4.00000 soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Flavouring Group Evaluation 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf Flavouring Group Evaluation 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87. View page or View pdf Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):13109-70-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :97897 National Institute of Allergy and Infectious Diseases:Data (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate Chemidplus:0013109701   References:   (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 13109-70-1 Pubchem (cid): 97897 Pubchem (sid): 135055389 Flavornet: 13109-70-1 Pherobase: View   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): HMDB38246 FooDB: FDB017538 Export Tariff Code: 2915.60.0000 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor amber angelica archangelica root oil CO2 extract FL/FR animal 1-oxa spiro-4,7-dodecane FR balsamic dextro,laevo-iso borneol FL/FR iso bornyl acetate FL/FR iso bornyl propionate FL/FR cedar forest fragrance FR conifer acetate FR fir carboxylate FR scotch pine wood/needles resinoid FR tolu balsam replacer FR berry raspberry ketone methyl ether FL/FR camphoreous dextro- camphor FL/FR citrus neroli ketone FR earthy 2- octanone FL/FR orris specialty FR fatty hexyl pivalate FR floral aglaia odorata absolute FR iso amyl salicylate FL/FR anise indene FR benzaldehyde propylene glycol acetal FL/FR bigarade oxide FR boronia absolute FL/FR boronia absolute replacer FL/FR boronia fragrance FR bursera graveolens wood oil FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR ho leaf oil FR ionone mixed isomers FL/FR (Z)- jasmone FL/FR karo karounde absolute FR karo karounde absolute replacer FR lavandula angustifolia flower oil FL/FR lavender oil france FL/FR lavender oil greece FL/FR linalyl propionate FL/FR N- methyl ionone FR nonisyl propionate FR orris fragrance FR petitgrain bigarade oil FL/FR prenyl salicylate FL/FR sambucus nigra flower oil CO2 extract FR 5- tricyclodecenyl acetate FR fruity 3- benzyl-4-heptanone FL/FR buchu wood specialty FL/FR 1-(3,3- dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde FR 1,4- dimethyl bicyclo(3.2.1)oct-3-yl acetate FR 1,2- dimethyl butyl 2-butenoate FR trans-1- ethyl-2-methyl propyl 2-butenoate FL/FR geranyl acetoacetate FL/FR green acetate FR heptyl isovalerate FL/FR methyl (Z)-5-octenoate FL/FR octyl propionate FL/FR 2- pentanone FL/FR perillyl acetate FL/FR pineapple hydroxyhexanoate FL/FR green iso cyclocitral (IFF) FL/FR dicyclopentadiene propionate FR alpha- hexyl cinnamaldehyde dimethyl acetal FR para- methyl hydratropaldehyde FL/FR hay tobacco leaf absolute FL/FR herbal 1- allyl-2,2,7,7-tetramethyl cycloheptanol FR angelica archangelica seed extract FL/FR artemisia vestita wall. leaf oil FR bornyl 2-methyl butyrate FL/FR beta- bourbonene FL/FR alpha- cadinol FL/FR calamintha clinopodium oil FR cardamom liquid resin FR coriander oleoresin FL/FR dill seed oil FL/FR dill seed oil CO2 extract FL/FR dimethyl cyclormol (IFF) FR herbal specialty FR herbal undecanone FR immortelle flower oil FL/FR lavandin water absolute FL/FR 2- methyl butyl salicylate FL/FR methyl cyclogeranate (Firmenich) FR curled parsley leaf oil FL/FR alpha- pinene FL/FR pinocarveol FL/FR tea leaf absolute FL/FR thyme oil wild or creeping FL/FR tricyclodecenyl propionate FR minty pennyroyal oil FL/FR musk angelica root absolute FL/FR nutty pentanoic acid, 3-methyl-2-oxo-, ethyl ester FL/FR orris para-iso propyl acetophenone FL/FR spicy bayberry fragrance FR cinnamon acrolein FL/FR clove bud absolute FL/FR clove bud oil FL/FR clove bud oil replacer FR clove fragrance FR black currant bud absolute FL/FR N,N- diethyl octanamide FR ginger oleoresin africa FL/FR ginger root absolute FL/FR ginger root oil cochin FL/FR green oxane FR maja fragrance FR myrcene FR 2- octanol FL/FR black pepper absolute FL/FR black pepper oil FL/FR white pepper oil FL/FR black pepper oleoresin FL/FR pepper tree berry oil CO2 extract FL/FR 4-iso propyl-2-cyclohexenone FL/FR thujonic cedarleaf oil western red FR common tansy flower oil argentina FL/FR common tansy leaf oil dutch FR woody ketone FL/FR waxy orris rhizome oil CO2 extract FL/FR woody angelica archangelica root extract FL/FR angelica archangelica root tincture FL/FR angelica archangelica root water FL/FR cadinene FL/FR camphene FL/FR (+)- camphene FL/FR cistus twig/leaf oil FL/FR cypress essence FR dalbergia sissoo leaf oil FR dihydro-alpha-terpinyl acetate FR fougere woody fragrance FR laitone FR manevoro oil FR marine formate FR melaleuca bracteata leaf oil FR melozol acetate FR polylimonene FL/FR santol pentenol FR spicy pentanone FL/FR spruce needle oil canada FL/FR tetrahydromugol FR 1-(5',5',6'- trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one FR For Flavor No flavor group found for these angelica archangelica root extract FL/FR angelica archangelica root oil CO2 extract FL/FR angelica archangelica root tincture FL/FR angelica archangelica root water FL/FR bornyl 2-methyl butyrate FL/FR boronia absolute replacer FL/FR beta- bourbonene FL/FR buchu wood specialty FL/FR bursera graveolens wood oil FL/FR delta- cadinene FL alpha- cadinol FL/FR (+)- camphene FL/FR trans-1- ethyl-2-methyl propyl 2-butenoate FL/FR heptyl isovalerate FL/FR ionone mixed isomers FL/FR 2- methyl butyl salicylate FL/FR 1- methyl pyrrole FL polylimonene FL/FR 4-iso propyl-2-cyclohexenone FL/FR woody ketone FL/FR balsamic balsamic iso bornyl propionate FL/FR berry raspberry ketone methyl ether FL/FR camphoreous dextro,laevo-iso borneol FL/FR camphene FL/FR pinocarveol FL/FR citrus petitgrain bigarade oil FL/FR dairy methyl (Z)-5-octenoate FL/FR 2- octanone FL/FR estery octyl propionate FL/FR fruity benzaldehyde propylene glycol acetal FL/FR 3- benzyl-4-heptanone FL/FR boronia absolute FL/FR 2- pentanone FL/FR pineapple hydroxyhexanoate FL/FR spicy pentanone FL/FR grassy tobacco leaf absolute FL/FR green iso amyl salicylate FL/FR iso cyclocitral (IFF) FL/FR para- methyl hydratropaldehyde FL/FR perillyl acetate FL/FR herbal angelica archangelica seed extract FL/FR coriander oleoresin FL/FR dill seed oil FL/FR dill seed oil CO2 extract FL/FR immortelle flower oil FL/FR lavandin water absolute FL/FR lavandula angustifolia flower oil FL/FR lavender oil france FL/FR lavender oil greece FL/FR linalyl propionate FL/FR curled parsley leaf oil FL/FR prenyl salicylate FL/FR thyme oil wild or creeping FL/FR medicinal dextro- camphor FL/FR minty pennyroyal oil FL/FR musk angelica root absolute FL/FR musty geranyl acetoacetate FL/FR nutty pentanoic acid, 3-methyl-2-oxo-, ethyl ester FL/FR spicy cinnamon acrolein FL/FR clove bud absolute FL/FR clove bud oil FL/FR black currant bud absolute FL/FR ginger oleoresin africa FL/FR ginger root absolute FL/FR ginger root oil cochin FL/FR 2- octanol FL/FR black pepper absolute FL/FR white pepper oil FL/FR black pepper oil FL/FR black pepper oleoresin FL/FR pepper tree berry oil CO2 extract FL/FR para-iso propyl acetophenone FL/FR tea tea leaf absolute FL/FR thujonic common tansy flower oil argentina FL/FR woody iso bornyl acetate FL/FR cadinene FL/FR cistus twig/leaf oil FL/FR (Z)- jasmone FL/FR orris rhizome oil CO2 extract FL/FR alpha- pinene FL/FR spruce needle oil canada FL/FR   Potential Uses: FR balsam   fir FR herbal FR pine FR woody   Occurrence (nature, food, other):note   chamomile oil morocco @ 1.30% Data GC Search Trop Picture   lemon verbena oil morocco @ 0.4% Data GC Search Trop Picture   Synonyms:   bornyl butanoate DL- bornyl butyrate endo- bornyl butyrate   butanoic acid rel-(1R,2S,4R)-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester   butanoic acid, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-   butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-   butyric acid 2-bornyl ester   butyric acid, 2-bornyl ester rel-(1R,2S,4R)-1,7,7- trimethyl bicyclo(2.2.1)butanoic acid hept-2-yl ester endo-1,7,7- trimethyl bicyclo(2.2.1)hept-2-yl butanoic acid ester (1,7,7- trimethyl norbornan-2-yl) butanoate (1,7,7- trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate 1,7,7- trimethyl-bicyclo(2.2.1)heptan-2-yl butanoate (1,7,7- trimethylnorbornan-2-yl) butanoate   Articles:   None found yet. 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Notes: Flavouring agent