bornyl 2-methyl butyrate
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

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  CODE141303 CODE141303
  Product(s):
  94200-10-9 Bornyl 2-methylbutyrate

Name: (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate CAS Number: 94200-10-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 303-487-0 FDA UNII: Search Nikkaji Web: J319.076E XlogP3-AA: 4.50 (est) Molecular Weight: 238.37062000 Formula: C15 H26 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Mixture of diastereoisomers. CASrn = 94200-10-9 (EFFA, 2010a). 25 % of each (EFFA, 2012g). 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: 1869 isobornyl 2-methylbutyrate DG SANTE Food Flavourings: 09.888 isobornyl 2-methylbutyrate FEMA Number: 4147 isobornyl 2-methylbutyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 94200-10-9 ; ISOBORNYL 2-METHYLBUTYRATE   Physical Properties: Appearance: colorless solid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 84.00 °C. @ 760.00 mm Hg Boiling Point: 336.00 °C. @ 760.00 mm Hg Boiling Point: 260.00 to 261.00 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.012000 mmHg @ 25.00 °C. (est) Flash Point: 243.00 °F. TCC ( 117.30 °C. ) (est) logP (o/w): 5.013 (est) Soluble in:   alcohol   water, 0.8885 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note isoamyl 2-methyl butyrate amyl 2-methyl butyrate benzyl 2-methyl butyrate butyl 2-methyl butyrate isobutyl 2-methyl butyrate citronellyl 2-methyl butyrate ethyl 2-hydroxy-2-methyl butyrate (±)-ethyl 3-acetoxy-2-methyl butyrate (±)-ethyl 3-hydroxy-2-methyl butyrate ethyl 2-methyl butyrate furfuryl 2-methyl butyrate geranyl 2-methyl butyrate heptyl 2-methyl butyrate (E)-2-hexen-1-yl 2-methyl butyrate (Z)-3-hexen-1-yl 2-methyl butyrate 3-hexen-1-yl 2-methyl butyrate hexyl 2-methyl butyrate methyl 3-acetoxy-2-methyl butyrate 2-methyl butyl 2-methyl butyrate methyl 2-methyl butyrate octyl 2-methyl butyrate propyl 2-methyl butyrate isopropyl 2-methyl butyrate propylene glycol di-2-methyl butyrate propylene glycol mono-2-methyl butyrate   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: BOC Sciences For experimental / research use only. Bornyl 2-methylbutyrate Parchem bornyl 2-methyl butyrate   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 2-methyl butyrate usage levels up to:   8.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1900 (μg/person/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: 22 Click here to view publication 22   average usual ppm average maximum ppm baked goods: 10.00000 50.00000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: 5.00000 25.00000 cheese: 7.00000 35.00000 chewing gum: - - condiments / relishes: - - confectionery froastings: 10.00000 50.00000 egg products: - - fats / oils: 5.00000 25.00000 fish products: 2.00000 10.00000 frozen dairy: 7.00000 35.00000 fruit ices: 10.00000 50.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 20.00000 100.00000 imitation dairy: 7.00000 35.00000 instant coffee / tea: - - jams / jellies: - - meat products: 5.00000 25.00000 milk products: 7.00000 35.00000 nut products: - - other grains: - - poultry: 2.00000 10.00000 processed fruits: 7.00000 35.00000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 5.00000 25.00000 snack foods: - - soft candy: 20.00000 100.00000 soups: 5.00000 25.00000 sugar substitutes: - - sweet sauces: 5.00000 25.00000   Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.   average usage mg/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 Meat and meat products, including poultry and game (08.0): 2.00000 10.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.00000 10.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): - - Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): - - Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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 47, Revision 1 (FGE.47Rev1): Bi- and tricyclic secondary alcohols, ketones and related esters from chemical group 8 View page or View pdf 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 :22082179 National Institute of Allergy and Infectious Diseases:Data (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate Chemidplus:0094200109   References:   (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 22082179 Pubchem (sid): 135253028   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): HMDB32343 FooDB: FDB009638 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 berry raspberry ketone methyl ether FL/FR camphoreous dextro- camphor FL/FR citrus neroli ketone FR earthy 2- octanone FL/FR fatty hexyl pivalate FR floral iso amyl salicylate FL/FR anise indene FR benzaldehyde propylene glycol acetal FL/FR bigarade oxide FR boronia absolute FL/FR bursera graveolens wood oil FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR ionone mixed isomers FL/FR (Z)- jasmone FL/FR karo karounde absolute 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 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 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 orris para-iso propyl acetophenone FL/FR spicy bayberry fragrance FR cinnamon acrolein FL/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 myrcene 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 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 butyrate 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 spicy cinnamon acrolein 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 herbal FR woody   Occurrence (nature, food, other):note   artemisia salsoloides Search Trop Picture   eupatorium cannabinum Search Trop Picture   Synonyms:   bornyl 2-methylbutyrate   butanoic acid, 2-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester 2- methyl butanoic acid 1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester (1,7,7- trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate 1,7,7- trimethylbicyclo[2.2.1]hept-2-yl 2-methylbutanoate   Articles: PubMed:Composition of essential oils isolated from the needles of Pinus uncinata and P. uliginosa grown in Poland.

Notes: None found