2-hexyl-4-acetoxytetrahydrofuran
4-acetoxy-2-hexyltetrahydrofuran

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Name: (5-hexyloxolan-3-yl) acetate CAS Number: 10039-39-1 3D/inchi FDA UNII: 677FSS3W4M Nikkaji Web: J1.536.622B CoE Number: 490 XlogP3-AA: 3.10 (est) Molecular Weight: 214.30494000 Formula: C12 H22 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: 1440 2-hexyl-4-acetoxytetrahydrofuran FEMA Number: 2566 2-hexyl-4-acetoxytetrahydrofuran FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 10039-39-1 ; 2-HEXYL-4-ACETOXYTETRAHYDROFURAN FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: colorless clear liquid (est) Assay: 96.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.95200 to 0.96100 @ 25.00 °C. Pounds per Gallon - (est).: 7.922 to 7.996 Refractive Index: 1.46500 to 1.47500 @ 20.00 °C. Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg Boiling Point: 121.00 to 126.00 °C. @ 1.00 mm Hg Acid Value: 5.00 max. KOH/g Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est) Flash Point: 231.00 °F. TCC ( 110.56 °C. ) logP (o/w): 3.093 (est) Soluble in:   alcohol   water, slightly   water, 58.66 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity sweet floral fruity Odor Description:at 1.00 % in dipropylene glycol. sweet floral fruity Flavor Type: fruity sweet fruity peach apricot Taste Description: sweet fruity peach apricot Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Parchem 2-hexyl-4-acetoxytetrahydrofuran 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: flavoring agents Recommendation for 2-hexyl-4-acetoxytetrahydrofuran usage levels up to:   not for fragrance use.   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: 3. Update in publication number(s): 25 Click here to view publication 3   average usual ppm average maximum ppm baked goods: 0.30000 3.00000 beverages(nonalcoholic): 0.10000 1.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.30000 3.00000 fruit ices: - 3.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 3.00000 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: 0.30000 3.00000 soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: 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 :61457 National Institute of Allergy and Infectious Diseases:Data (5-hexyloxolan-3-yl) acetate Chemidplus:0010039391   References:   (5-hexyloxolan-3-yl) acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 61457 Pubchem (sid): 135017172   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): HMDB37398 FooDB: FDB016442 Export Tariff Code: 2932.19.0000 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 No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR balsamic balsamic amyl cinnamate FL/FR benzophenone FR benzyl cinnamate FL/FR cinnamyl formate FL/FR propyl cinnamate FL/FR citrus 2- heptanol FL/FR creamy gamma- butyrolactone FL/FR creamy lactone FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR (S)- citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl formate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR ionone mixed isomers FL/FR jasmin pyranone FL/FR iso jasmone FL/FR linalyl butyrate FL/FR magnolia flower oil CO2 extract FL/FR methoxymelonal FL/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 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR osmanthus concrete FL/FR petitgrain lemon oil 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 rhodinyl butyrate FL/FR star fruit oil cuba FL/FR styralyl propionate FL/FR terpinyl valerate FL/FR fruity apricot essence FL/FR artemisia pallens herb oil FL/FR benzyl propionate FL/FR benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR beta- damascone FL/FR (Z)-beta- damascone FL/FR davana oil CO2 extract FL/FR gamma- decalactone FL/FR decen-1-yl cyclopentanone FL/FR (R)-gamma- dodecalactone FL/FR ethyl levulinate FL/FR heptyl isobutyrate FL/FR linalool oxide acetates FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR 3- phenyl propyl hexanoate FL/FR sambucus canadensis fruit absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR (R)- styralyl acetate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR green iso amyl 3-(2-furan) propionate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR herbal tagete oil madagascar FL/FR medicinal ortho- cresyl acetate FL/FR powdery alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy para- anisyl formate FL/FR spicy acetoacetate FL/FR tropical delta- dodecalactone FL/FR glyceryl 5-hydroxydodecanoate FL/FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR phytyl acetate FL/FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL iso amyl angelate FL/FR amyl angelate FL benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR 2- butyl thiophene FL ortho- cresyl acetate FL/FR 2,4- difurfuryl furan FL dihydrocitronellyl acetate FL/FR S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (R)-gamma- dodecalactone FL/FR ethyl 3-hydroxyoctanoate FL ethyl ethyl anthranilate FL/FR 4- hydroxyphenethyl alcohol FL ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate 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 iso propyl benzoate FL/FR (R)- styralyl acetate FL/FR vitispirane FL iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR balsamic balsamic amyl cinnamate FL/FR berry heptyl isobutyrate FL/FR burnt ethyl 2-furoate FL citrus petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR styralyl propionate FL/FR creamy creamy lactone FL/FR delta- dodecalactone FL/FR glyceryl 5-hydroxydodecanoate FL/FR jasmin pyranone FL/FR ethereal methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR linalyl butyrate FL/FR 2- methyl butyl 3-methyl butenoate FL (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 tropical ionone FL/FR fruity acerola peach flavor FL apricot essence FL/FR artemisia pallens herb oil FL/FR benzyl acetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR iso butyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl formate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR davana oil CO2 extract FL/FR gamma- decalactone FL/FR decen-1-yl cyclopentanone FL/FR (E)-2- decenoic acid FL ethyl anthranilate FL/FR ethyl levulinate FL/FR garcinia mangostana fruit extract FL 2- heptanol FL/FR methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 4-phenyl butyrate FL para- methyl benzyl acetate FL/FR alpha- methyl ionone FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR phenethyl isovalerate FL/FR 3- phenyl propyl hexanoate FL/FR 2- phenyl-4-pentenal FL propyl cinnamate FL/FR sambucus canadensis fruit absolute FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR tagete oil madagascar FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR green (E)- citronellyl tiglate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR iso jasmone FL/FR honey phenethyl isobutyrate FL/FR milky gamma- butyrolactone FL/FR nutty phytyl acetate FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR spicy acetoacetate FL/FR tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR waxy butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR 4- phenyl-3-buten-2-ol FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: FL apricot FR floral FL jasmin FL peach   Occurrence (nature, food, other):note   not found in nature   Synonyms: 4- acetoxy-2-hexyltetrahydrofuran 3- furanol, 5-hexyltetrahydro-, acetate 5- hexyl tetrahydro-3-furanol acetate 5- hexyl tetrahydro-3-furanyl acetate 2- hexyl tetrahydrofuran-4-yl acetate (5- hexyloxolan-3-yl) acetate 5- hexyltetrahydro-3-furanyl acetate 5- hexyltetrahydrofuran-3-yl acetate 2- hexyltetrahydrofuran-4-yl acetate   Articles: Leffingwell & Associates:Flavor Properties of FEMA GRAS List 25 flavor chemicals

Notes: Used as a food additive [EAFUS]