allyl valerate
prop-2-enyl pentanoate

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  CODE140923 CODE140923
  Product(s):
  6321-45-5 Allyl n-valerate

CAS Number: 6321-45-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 228-675-9 FDA UNII: YZV641464H Nikkaji Web: J118.083E XlogP3-AA: 2.10 (est) Molecular Weight: 142.19798000 Formula: C8 H14 O2 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 DG SANTE Food Flavourings: 09.866 allyl valerate FEMA Number: 4074 allyl valerate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 6321-45-5 ; ALLYL VALERATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.99900 to 1.00500 @ 25.00 °C. Pounds per Gallon - (est).: 8.313 to 8.363 Boiling Point: 164.00 to 165.00 °C. @ 760.00 mm Hg Vapor Pressure: 1.445000 mmHg @ 25.00 °C. (est) Flash Point: 138.00 °F. TCC ( 58.89 °C. ) logP (o/w): 2.618 (est) Soluble in:   alcohol   water, 411.7 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl isovalerate amyl valerate amyl isovalerate isoamyl valerate isoamyl isovalerate para-anisyl isovalerate para-anisyl valerate benzyl valerate benzyl isovalerate bornyl valerate bornyl isovalerate (-)-bornyl isovalerate isobornyl isovalerate S-sec-butyl thioisovalerate butyl valerate butyl isovalerate isobutyl valerate isobutyl isovalerate carvyl isovalerate cinnamyl valerate cinnamyl isovalerate citronellyl valerate citronellyl isovalerate para-cresyl valerate para-cresyl isovalerate cyclohexyl valerate cyclohexyl isovalerate cyclotene isovalerate decyl valerate decyl isovalerate ethyl valerate ethyl isovalerate eugenyl isovalerate furfuryl isovalerate furfuryl valerate geranyl valerate geranyl isovalerate (E)-2-hepten-1-yl isovalerate heptyl isovalerate sec-heptyl isovalerate heptyl valerate (E)-2-hexen-1-yl valerate (E)-2-hexen-1-yl isovalerate (Z)-3-hexen-1-yl valerate (Z)-3-hexen-1-yl isovalerate hexyl valerate hexyl isovalerate linalyl valerate linalyl isovalerate menthyl valerate menthyl isovalerate methyl 2-methyl valerate methyl 4-methyl valerate 2-methyl butyl isovalerate 4-methyl pentyl isovalerate methyl thio isovalerate methyl valerate methyl isovalerate myrtenyl isovalerate neryl isovalerate nonyl isovalerate nonyl valerate octyl valerate octyl isovalerate phenethyl isovalerate 2-phenethyl valerate 3-phenyl propyl isovalerate phenyl propyl valerate S-prenyl thioisovalerate isopropyl thioisovalerate propyl valerate propyl isovalerate isopropyl valerate isopropyl isovalerate rhodinyl isovalerate terpinyl isovalerate terpinyl valerate   Organoleptic Properties: Odor Type: fruity pineapple Odor Description:at 100.00 %. pineapple Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Allyl n-valerate Inoue Perfumery ALLYL VALERATE Parchem allyl valerate   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 IFRA Purity Specification: < 0.1% free allyl alcohol Recommendation for allyl valerate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2000 (μg/person/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II 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): 5.00000 25.00000 beverages(alcoholic): - - breakfast cereal: 5.00000 25.00000 cheese: 7.00000 35.00000 chewing gum: - - condiments / relishes: 5.00000 25.00000 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: 5.00000 25.00000 granulated sugar: - - gravies: 20.00000 100.00000 hard candy: - - imitation dairy: 7.00000 35.00000 instant coffee / tea: - - jams / jellies: 5.00000 25.00000 meat products: 2.00000 10.00000 milk products: 7.00000 35.00000 nut products: - - other grains: 5.00000 25.00000 poultry: 2.00000 10.00000 processed fruits: 7.00000 35.00000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 5.00000 25.00000 snack foods: 10.00000 50.00000 soft candy: - - 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): 5.70000 12.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.50000 14.25000 Edible ices, including sherbet and sorbet (03.0): 0.90000 2.98000 Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 5.00000 5.03000 Confectionery (05.0): 5.50000 14.46000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 4.80000 11.55000 Bakery wares (07.0): 8.00000 19.07000 Meat and meat products, including poultry and game (08.0): 0.90000 2.98000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.90000 2.98000 Eggs and egg products (10.0): 0.90000 2.98000 Sweeteners, including honey (11.0): 0.90000 2.98000 Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.00000 5.00000 Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.00000 4.43000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.00000 2.00000 Ready-to-eat savouries (15.0): 2.50000 4.50000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.90000 2.98000   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): EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 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 :80606 National Institute of Allergy and Infectious Diseases:Data prop-2-enyl pentanoate Chemidplus:0006321455   References:   prop-2-enyl pentanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 80606 Pubchem (sid): 135038878 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): HMDB32164 FooDB: FDB008916 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor amber ambroxide FL/FR balsamic abies alba needle oil FL/FR dextro,laevo- borneol FL/FR dextro- borneol FL/FR laevo- borneol FL/FR bornyl acetate FL/FR laevo- bornyl acetate FL/FR bornyl formate FL/FR iso bornyl methyl ether FL/FR iso bornyl propionate FL/FR dextro- fenchone FL/FR fir needle oil terpeneless canada FL/FR nopol FL/FR terpinyl isovalerate FL/FR verbenol FL/FR camphoreous camphor tree bark oil FL/FR fenchol FL/FR laevo- fenchone FL/FR cheesy heptanoic acid FL/FR chemical propyl propionate FL/FR earthy (-)-alpha- fenchol FL/FR methyl 3-hexenoate FL/FR scotch pine needle oil FL/FR scotch pine needle oil estonia FL/FR scotch pine needle oil yugoslavia FL/FR (E+Z)-2,4,8- trimethyl-3,7-nonadien-2-ol FL/FR ethereal propyl valerate FL/FR fatty allyl decanoate FL/FR allyl octanoate FL/FR methyl 2-hexenoate FL/FR fermented ethyl crotonate FL/FR floral dihydrocarvyl acetate FL/FR geranyl valerate FL/FR linalool oxide (furanoid) FL/FR octyl isovalerate FL/FR phenethyl hexanoate FL/FR 2- phenyl propyl isobutyrate FL/FR fruity acetoin acetate FL/FR allyl 10-undecenoate FL/FR allyl 3,5,5-trimethyl hexanoate FL/FR allyl butyrate FL/FR allyl cinnamate FL/FR allyl cyclohexyl acetate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR amyl butyrate FL/FR amyl hexanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR amyl propionate FL/FR benzyl isovalerate FL/FR butyl butyrate FL/FR iso butyl furyl propionate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR cyclohexyl butyrate FL/FR ethyl (Z)-4-octenoate FL/FR ethyl 2-octenoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl 3-methyl valerate FL/FR ethyl 5-hydroxyoctanoate FL/FR ethyl butyrate FL/FR ethyl cyclohexane propionate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR geranyl isovalerate FL/FR 4- heptanone FL/FR (E)-2- hepten-1-yl acetate FL/FR heptyl isobutyrate FL/FR linalyl hexanoate FL/FR methyl (Z)-4-octenoate FL/FR methyl 2-methyl valerate FL/FR methyl 4-methyl valerate FL/FR methyl butyrate FL/FR methyl hexanoate FL/FR methyl isobutyrate FL/FR methyl isovalerate FL/FR methyl valerate FL/FR 3- phenyl propyl hexanoate FL/FR pineapple essence FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR prenyl isobutyrate FL/FR iso propyl 2-methyl butyrate FL/FR propyl 2-methyl butyrate FL/FR iso propyl butyrate FL/FR propyl butyrate FL/FR propyl heptanoate FL/FR propyl hexanoate FL/FR iso propyl hexanoate FL/FR iso propyl isobutyrate FL/FR iso propyl isovalerate FL/FR iso propyl propionate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical dienoate (Bedoukian) FL/FR vanilla carboxylate FL/FR green cognac heptanone FL/FR ethyl (E)-4-decenoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenyl 2-methyl butyrate FL/FR manzanate (Givaudan) FL/FR methyl (E)-3-hexenoate FL/FR (E,E)- sorbyl isobutyrate FL/FR sorbyl isobutyrate FL/FR herbal benzyl octanoate FL/FR 1,4- cineole FL/FR alpha- dihydroterpineol FL/FR dihydroterpinyl acetate FL/FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR hyssop oil FL/FR myrcenyl methyl ether FL/FR myrtenol FL/FR alpha- pinene FL/FR L-(-)-alpha- pinene FL/FR beta- pinene FL/FR laevo-beta- pinene FL/FR pinocarveol FL/FR sage oleoresin FL/FR terpineol acetate FL/FR terpineols (unspec.) (mixed isomers) FL/FR terpinolene FL/FR nutty 2- methyl-3-ethoxypyrazine FL/FR pine white pine bark oil FL/FR spicy nutmeg oil FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR terpenic frankincense oil FL/FR laevo- limonene FL/FR pine needle oil dwarf FL/FR D-(+)-beta- pinene FL/FR alpha- terpineol FL/FR tropical cis- galbanum oxathiane FL/FR tropical 3-thiobutyrate FL/FR 2- tropical oxathiane FL/FR waxy allyl nonanoate FL/FR ethyl octanoate FL/FR myristic acid FL/FR woody abies alba cone extract FL/FR iso bornyl isovalerate FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-ol FL/FR para- menth-3-en-1-ol FL/FR myrtenyl formate FL/FR For Flavor No flavor group found for these abies alba cone extract FL/FR allyl 10-undecenoate FL/FR allyl 3,5,5-trimethyl hexanoate FL/FR allyl cinnamate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl valerate FL ambroxide FL/FR iso amyl 3-methyl thiopropionate FL amyl propionate FL/FR benzyl octanoate FL/FR dextro- borneol FL/FR dextro,laevo- borneol FL/FR bornyl formate FL/FR iso bornyl methyl ether FL/FR cyclohexyl butyrate FL/FR 9- decen-2-one FL dihydroterpinyl acetate FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-ol FL/FR ethyl 3-methyl valerate FL/FR ethyl 5-hydroxyoctanoate FL/FR ethyl cyclohexane propionate FL/FR ethyl cyclohexyl carboxylate FL geranyl valerate FL/FR (E)-2- hepten-1-yl acetate FL/FR linalool oxide (furanoid) FL/FR linalyl hexanoate FL/FR para- menth-3-en-1-ol FL/FR methyl (Z)-4-octenoate FL/FR methyl 2-hexenoate FL/FR S-( methyl thio) hexanoate FL 2- methyl-3-ethoxypyrazine FL/FR myrcenyl methyl ether FL/FR myrtenyl formate FL/FR nopol FL/FR octyl isovalerate FL/FR 2- phenyl propyl isobutyrate FL/FR white pine bark oil FL/FR scotch pine needle oil FL/FR scotch pine needle oil estonia FL/FR scotch pine needle oil yugoslavia FL/FR laevo-beta- pinene FL/FR L-(-)-alpha- pinene FL/FR D-(+)-beta- pinene FL/FR prenyl isobutyrate FL/FR propyl 2-methyl butyrate FL/FR iso propyl hexanoate FL/FR iso propyl isobutyrate FL/FR iso propyl isovalerate FL/FR propyl valerate FL/FR (E,E)- sorbyl isobutyrate FL/FR sorbyl propionate FL terpineol acetate FL/FR terpineols (unspec.) (mixed isomers) FL/FR (E+Z)-2,4,8- trimethyl-3,7-nonadien-2-ol FL/FR iso butyl furyl propionate FL/FR sorbyl isobutyrate FL/FR balsamic balsamic laevo- bornyl acetate FL/FR iso bornyl propionate FL/FR fir needle oil terpeneless canada FL/FR berry heptyl isobutyrate FL/FR bitter methyl ethoxypyrazine FL terpinyl isovalerate FL/FR camphoreous laevo- borneol FL/FR bornyl acetate FL/FR camphor tree bark oil FL/FR fenchol FL/FR (-)-alpha- fenchol FL/FR laevo- fenchone FL/FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR pinocarveol FL/FR citrus cognac heptanone FL/FR alpha- terpineol FL/FR cooling 1,4- cineole FL/FR dextro- fenchone FL/FR manzanate (Givaudan) FL/FR ethereal methyl isobutyrate FL/FR fatty allyl octanoate FL/FR ethyl (E)-4-decenoate FL/FR floral dihydrocarvyl acetate FL/FR fruity acetoin acetate FL/FR allyl cyclohexyl acetate FL/FR allyl cyclohexyl propionate FL/FR allyl decanoate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR amyl butyrate FL/FR iso amyl hexanoate FL/FR amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR benzyl isovalerate FL/FR butyl butyrate FL/FR butyl hexanoate FL/FR iso butyl hexanoate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR ethyl (Z)-4-octenoate FL/FR ethyl 2-octenoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR furfuryl valerate FL 4- heptanone FL/FR methionyl butyrate FL methyl 2-methyl valerate FL/FR methyl 3-hexenoate FL/FR methyl 4-methyl valerate FL/FR methyl hexanoate FL/FR methyl isovalerate FL/FR ( methyl thio) methyl hexanoate FL methyl valerate FL/FR 3- phenyl propyl hexanoate FL/FR pineapple essence FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso propyl butyrate FL/FR propyl hexanoate FL/FR iso propyl propionate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical dienoate (Bedoukian) FL/FR vanilla carboxylate FL/FR fusel methyl butyrate FL/FR green allyl butyrate FL/FR cis- galbanum oxathiane FL/FR geranyl isovalerate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenyl 2-methyl butyrate FL/FR methyl (E)-3-hexenoate FL/FR herbal hyssop oil FL/FR sage oleoresin FL/FR verbenol FL/FR minty myrtenol FL/FR pine pine needle oil dwarf FL/FR beta- pinene FL/FR rummy ethyl crotonate FL/FR spicy nutmeg oil FL/FR white pepper oleoresin FL sulfurous ethyl methyl mercaptopropionate FL/FR methyl 4-(methyl thio) butyrate FL tropical 3-thiobutyrate FL/FR terpenic abies alba needle oil FL/FR laevo- limonene FL/FR tropical propyl propionate FL/FR 2- tropical oxathiane FL/FR waxy allyl nonanoate FL/FR ethyl octanoate FL/FR heptanoic acid FL/FR myristic acid FL/FR phenethyl hexanoate FL/FR propyl heptanoate FL/FR woody iso bornyl isovalerate FL/FR alpha- dihydroterpineol FL/FR frankincense oil FL/FR alpha- pinene FL/FR terpinolene FL/FR   Potential Uses: FR pineapple   Occurrence (nature, food, other):note   heracleum dissectum Search Trop Picture   Synonyms:   allyl pentanoate   pentanoic acid 2-propenyl ester   pentanoic acid, 2-propen-1-yl ester   pentanoic acid, 2-propenyl ester   prop-2-enyl pentanoate   valeric acid allyl ester   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]