furfuryl octanoate
octanoic acid, furfuryl ester

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  Alfrebro LLC/ Archer Daniels Midland Company

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  FURFURYL OCTANOATE

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  BOC Sciences

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  39252-03-4 Furfuryl Octanoate

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  CJ Latta & Associates, LLC

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  Penta International Corporation

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  06-45000 FURFURYL OCTANOATE

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  Synerzine, Inc.

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  W067 alpha-Furfuryloctanoate

Name: furan-2-ylmethyl octanoate CAS Number: 39252-03-4 3D/inchi ECHA EINECS - REACH Pre-Reg: 254-381-5 FDA UNII: 24FE04Z37C MDL: MFCD00209510 CoE Number: 10645 XlogP3-AA: 3.70 (est) Molecular Weight: 224.30000000 Formula: C13 H20 O3 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: 742 furfuryl octanoate DG SANTE Food Flavourings: 13.067 furfuryl octanoate FEMA Number: 3396 furfuryl octanoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 39252-03-4 ; ALPHA-FURFURYL OCTANOATE   Physical Properties: Appearance: yellow clear liquid (est) Assay: 98.00 to 100.00 Equivalence Factor for Assay: 112.15 Food Chemicals Codex Listed: No Specific Gravity: 0.98000 to 0.98900 @ 25.00 °C. Pounds per Gallon - (est).: 8.155 to 8.229 Refractive Index: 1.45600 to 1.46400 @ 20.00 °C. Boiling Point: 139.00 °C. @ 10.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.003000 mmHg @ 25.00 °C. (est) Flash Point: > 230.00 °F. TCC ( > 110.00 °C. ) logP (o/w): 4.159 (est) Soluble in:   alcohol   water, 5.737 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl octanoate amyl octanoate isoamyl octanoate benzyl octanoate butyl octanoate isobutyl octanoate citronellyl octanoate ortho-cresyl octanoate para-cresyl octanoate decyl octanoate ethyl 4-methyl octanoate ethyl octanoate geranyl octanoate heptyl octanoate (E)-2-hexen-1-yl octanoate (Z)-3-hexen-1-yl octanoate hexyl octanoate linalyl octanoate 2-methyl butyl octanoate methyl octanoate nonyl octanoate octyl octanoate phenethyl octanoate propyl octanoate isopropyl octanoate sulfuryl octanoate   Organoleptic Properties: Odor Type: waxy Odor Strength:medium Substantivity:200 hour(s) at 100.00 % sweet waxy metallic fruity peach Odor Description:at 100.00 %. sweet waxy metallic fruity peach Luebke, William tgsc, (1997) Odor sample from: Alfrebro LLC/ Archer Daniels Midland Company sweet waxy metallic fruity bready caramellic Odor Description:Sweet, waxy, metallic, slightly fruity with bready and caramellic nuances Mosciano, Gerard P&F 16, No. 2, 49, (1991) Flavor Type: waxy waxy oily fatty hairy fruity soapy metallic Taste Description: waxy oily fatty hairy fruity soapy metallic Luebke, William tgsc, (1997) waxy fruity Taste Description: at 20.00 ppm. Waxy and fruity Mosciano, Gerard P&F 16, No. 2, 49, (1991) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Alfrebro FURFURYL OCTANOATE Odor: Fruity, Peach Aurochemicals FURFURYL OCTANOATE, Natural BOC Sciences For experimental / research use only. Furfuryl Octanoate CJ Latta & Associates FURFURYL OCTONOATE Inoue Perfumery FURFURYL OCTANOATE Penta International FURFURYL OCTANOATE Synerzine alpha-Furfuryloctanoate   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 furfuryl octanoate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 6.00 (μg/capita/day) Threshold of Concern: 90 (μg/person/day) Structure Class: III 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: 7 Click here to view publication 7   average usual ppm average maximum ppm baked goods: - 4.00000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - 2.00000 fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - 2.00000 granulated sugar: - - gravies: - 2.00000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 2.00000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - 10.00000 soft candy: - - soups: - 2.00000 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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18 View page or View pdf Flavouring Group Evaluation 66 (FGE.66)[1]:Consideration of furfuryl alcohol and related flavouring substances evaluated by JECFA (55th meeting) structurally related to Furfuryl and furan derivatives with and without additional side chain substituents and heteroatoms evaluated by EFSA in FGE.13 (2005) View page or View pdf Flavouring Group Evaluation 218: alpha,beta-Unsaturated aldehydes and precursors from subgroup 4.2 of FGE.19: Furfural derivatives - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 218, Revision 1 (FGE.218Rev1): alpha,beta-Unsaturated aldehydes and precursors from subgroup 4.2 of FGE.19: Furfural derivatives. View page or View pdf Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 66, Revision 1 (FGE.66Rev1): Consideration of Furfuryl Alcohol and Related Flavouring Substances Evaluated by JECFA (55th meeting) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):39252-03-4 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61985 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 furan-2-ylmethyl octanoate Chemidplus:0039252034   References:   furan-2-ylmethyl octanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 39252-03-4 Pubchem (cid): 61985 Pubchem (sid): 135019532 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): HMDB37730 FooDB: FDB016860 ChemSpider: View EFSA Update of results on the monitoring of furan levels in food: Read Report EFSA Previous report: Results on the monitoring of furan levels in food: Read Report EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report   Potential Blenders and core components note For Odor acidic cyclohexyl acetic acid FL/FR aldehydic 10- undecenal (aldehyde C-11 undecylenic) FL/FR iso valeraldehyde FL/FR balsamic 2- acetyl furan FL/FR bready coffee furanone FL/FR furfural FL/FR buttery acetoin FL/FR acetyl propionyl FL/FR 3,4- hexane dione FL/FR caramellic 2-oxo butyric acid FL/FR caramel pentadione FL/FR cyclotene FL/FR cyclotene hydrate FL/FR alpha,alpha- dimethyl anisyl acetone FL/FR ethyl 2-hydroxy-2-methyl butyrate FL/FR ethyl cyclopentenolone FL/FR ethyl maltol FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR fenugreek absolute FL/FR immortelle absolute FL/FR maltol FL/FR maltyl propionate FL/FR maple furanone FL/FR menthone lactone FL/FR 5- methyl furfural FL/FR rosefuran FL/FR shoyu furanone FL/FR strawberry furanone FL/FR strawberry furanone acetate FL/FR toffee furanone FL/FR chocolate 2,5- dimethyl pyrazine FL/FR coconut delta- decalactone FL/FR gamma- heptalactone FL/FR delta- undecalactone FL/FR creamy gamma- butyrolactone FL/FR ethereal ethyl 4-pentenoate FL/FR ethyl pyruvate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty butyl undecylenate FL/FR decanoic acid FL/FR (Z)- oleic acid FL/FR fermented ethyl (E)-2-crotonate FL/FR methyl decanoate FL/FR floral citronellyl butyrate FL/FR alpha- damascone FL/FR geraniol FL/FR heliotropyl acetate FL/FR hexyl 2-furoate FL/FR jasmin pyranone FL/FR neryl acetate FL/FR fruity allyl cyclohexyl propionate FL/FR iso amyl octanoate FL/FR 3- benzyl-4-heptanone FL/FR citronellyl isobutyrate FL/FR cyclohexyl cinnamate FL/FR (S)-delta- decalactone FL/FR decyl butyrate FL/FR epsilon- dodecalactone FL/FR ethyl hexanoate FL/FR (E)- ethyl tiglate FL/FR 3- hexanone FL/FR (E)-7- methyl-3-octen-2-one FL/FR octyl butyrate FL/FR propyl heptanoate FL/FR tetrahydrofurfuryl acetate FL/FR 2- undecanone FL/FR green iso amyl 3-(2-furan) propionate FL/FR ethyl (E)-2-decenoate FL/FR heptyl formate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl propionate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl phenyl acetate FL/FR melon nonenoate FL/FR (E)-2- octen-1-ol FL/FR 2- octen-1-ol FL/FR 3- octyl formate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR herbal benzyl octanoate FL/FR butyl levulinate FL/FR 3- octyl acetate FL/FR musty 2- acetyl pyrrole FL/FR 3- acetyl-2,5-dimethyl furan FL/FR nutty 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR nutty cyclohexenone FL/FR phenolic 4- methyl-2,6-dimethoxyphenol FL/FR popcorn 2- acetyl pyrazine FL/FR soapy ambrettolide FL/FR spicy caraway seed oleoresin FL/FR sweet vanilla oleoresin bali FL/FR tropical glyceryl 5-hydroxydodecanoate FL/FR vanilla ethyl vanillin FL/FR vanillyl isobutyrate FL/FR vegetable tetrahydrofurfuryl alcohol FL/FR waxy dodecyl acetate FL/FR ethyl decanoate FL/FR ethyl octanoate FL/FR ethyl palmitate FL/FR 2- methyl heptanoic acid FL/FR methyl octanoate FL/FR 2,4- nonadien-1-ol FL/FR nonyl acetate FL/FR octyl 2-methyl butyrate FL/FR octyl isobutyrate FL/FR For Flavor No flavor group found for these 2- acetyl-3,4,5,6-tetrahydropyridine FL allyl 2-furoate FL benzyl disulfide FL benzyl octanoate FL/FR (S)-delta- decalactone FL/FR 2,5- diethyl tetrahydrofuran FL alpha,alpha- dimethyl anisyl acetone FL/FR epsilon- dodecalactone FL/FR ethyl 2-hydroxy-2-methyl butyrate FL/FR ethyl 4-pentenoate FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR furfuryl acetone FL menthone lactone FL/FR rosefuran FL/FR iso amyl 3-(2-furan) propionate FL/FR bready bready mango furanone FL 2- propionyl thiazole FL brown 2-oxo butyric acid FL/FR furfural FL/FR 5- methyl furfural FL/FR tetrahydrofurfuryl acetate FL/FR burnt furfuryl alcohol FL buttery diacetyl FL 3,4- hexane dione FL/FR caramellic caramel dione FL caramel furanone FL caramel pentadione FL/FR cyclotene FL/FR cyclotene hydrate FL/FR ethyl maltol FL/FR 5- ethyl-3,4,5,6-tetramethyl cyclohexen-2-one FL fenugreek absolute FL/FR maltol FL/FR maltyl propionate FL/FR maple furanone FL/FR 3- methyl butyl 2-furyl butyrate FL shoyu furanone FL/FR strawberry furanone FL/FR strawberry furanone acetate FL/FR toffee furanone FL/FR cocoa butyraldehyde FL coconut delta- decalactone FL/FR coffee diisoamyl thiomalate FL 2- thiophene thiol FL corn chip 2- acetyl-2-thiazoline FL creamy acetoin FL/FR glyceryl 5-hydroxydodecanoate FL/FR jasmin pyranone FL/FR octyl isobutyrate FL/FR delta- undecalactone FL/FR fatty 2,4- decadienal FL diacetyl trimer FL heptyl formate FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR 2,4- nonadien-1-ol FL/FR 2,4- octadien-1-ol FL (E)-2- octen-1-ol FL/FR 2- octen-1-ol FL/FR (Z)- oleic acid FL/FR (E,E)-2,4- undecadienal FL 2,4- undecadienal FL 10- undecenal (aldehyde C-11 undecylenic) FL/FR floral geraniol FL/FR heliotropyl acetate FL/FR neryl acetate FL/FR fruity allyl cyclohexyl propionate FL/FR iso amyl octanoate FL/FR 3- benzyl-4-heptanone FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR cyclohexyl cinnamate FL/FR alpha- damascone FL/FR decyl butyrate FL/FR ethyl (E)-2-decenoate FL/FR ethyl hexanoate FL/FR (E)- ethyl tiglate FL/FR furfuryl valerate FL 3- hexanone FL/FR hexyl phenyl acetate FL/FR 2- pentanoyl furan FL iso valeraldehyde FL/FR iso valeraldehyde propylene glycol acetal FL/FR green (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl propionate FL/FR hexyl 2-furoate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR immortelle absolute FL/FR melon nonenoate FL/FR methyl 2-undecynoate FL methyl octanoate FL/FR 3- octyl acetate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR herbal butyl levulinate FL/FR 5- hydroxymethyl furfural FL jammy ethyl cyclopentenolone FL/FR lactonic gamma- heptalactone FL/FR metallic 2,5- dihydroxy-1,4-dithiane FL milky gamma- butyrolactone FL/FR musty 2,5- dimethyl pyrazine FL/FR ethyl (E)-2-crotonate FL/FR nutty 2- acetyl furan FL/FR 2- acetyl pyrrole FL/FR 3- acetyl-2,5-dimethyl furan FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR coffee furanone FL/FR 2,3- dimethyl pyrazine FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR nutty cyclohexenone FL/FR peanut oxazole FL tetrahydrofurfuryl alcohol FL/FR phenolic 4- methyl-2,6-dimethoxyphenol FL/FR roasted 2- acetyl pyrazine FL/FR rummy ethyl pyruvate FL/FR soapy ambrettolide FL/FR decanoic acid FL/FR spicy caraway seed oleoresin FL/FR sweet cyclohexyl acetic acid FL/FR vanilla oleoresin bali FL/FR toasted acetyl propionyl FL/FR vanilla ethyl vanillin FL/FR vanillyl isobutyrate FL/FR waxy butyl undecylenate FL/FR dodecyl acetate FL/FR ethyl decanoate FL/FR ethyl octanoate FL/FR ethyl palmitate FL/FR 2- methyl heptanoic acid FL/FR nonyl acetate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR 3- octyl formate FL/FR propyl heptanoate FL/FR 2- undecanone FL/FR   Potential Uses: FL caramel FL cream FR fruit FL milk FL peach   waxy   Occurrence (nature, food, other):note   not found in nature   Synonyms:   furan-2-ylmethyl octanoate 2- furanyl methyl octanoate 2- furanylmethyl octanoate   furfuryl caprylate alpha- furfuryl caprylate 2- furfuryl octanoate alpha- furfuryl octanoate alpha- furfuryloctanoate 2- furylmethyl octanoate   octanoic acid 2-furanyl methyl ester   octanoic acid furfuryl ester   octanoic acid, 2-furanylmethyl ester   octanoic acid, furfuryl ester   Articles:   None found yet. 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Notes: Flavouring ingredient