methyl (Z)-4-octenoate
methyl cis-4-octenoate

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  21063-71-8 Methyl (Z)-oct-4-enoate

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Name: methyl (Z)-oct-4-enoate CAS Number: 21063-71-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 244-188-4 FDA UNII: A9OC5106PK Nikkaji Web: J146.077C CoE Number: 10834 XlogP3-AA: 2.40 (est) Molecular Weight: 156.22492000 Formula: C9 H16 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) 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: 337 methyl cis-4-octenoate DG SANTE Food Flavourings: 09.268 methyl oct-4(cis)-enoate FEMA Number: 3367 methyl cis-4-octenoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 21063-71-8 ; METHYL CIS-4-OCTENOATE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.86200 to 0.86700 @ 25.00 °C. Pounds per Gallon - (est).: 7.173 to 7.214 Refractive Index: 1.43100 to 1.43800 @ 20.00 °C. Boiling Point: 72.00 °C. @ 11.00 mm Hg Vapor Pressure: 1.240000 mmHg @ 25.00 °C. (est) Flash Point: 135.00 °F. TCC ( 57.22 °C. ) logP (o/w): 2.896 (est) Soluble in:   alcohol   water, 158.9 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity fresh pineapple Odor Description:at 100.00 %. fresh pineapple Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 4-Octenoic acid, methylester, (4Z)- BOC Sciences For experimental / research use only. Methyl (Z)-oct-4-enoate 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 methyl (Z)-4-octenoate usage levels up to:   0.8000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day) 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: 6 Click here to view publication 6   average usual ppm average maximum ppm baked goods: - 4.00000 beverages(nonalcoholic): - 2.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 2.00000 fruit ices: - 2.00000 gelatins / puddings: - 2.00000 granulated sugar: - - gravies: - - hard candy: - 4.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - 2.00000 meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - 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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):21063-71-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5352774 National Institute of Allergy and Infectious Diseases:Data methyl (Z)-oct-4-enoate Chemidplus:0021063718   References:   methyl (Z)-oct-4-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 21063-71-8 Pubchem (cid): 5352774 Pubchem (sid): 135263320 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): HMDB39794 FooDB: FDB019444 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aldehydic pinoacetaldehyde FR amber ambroxide FL/FR animal methyl (E)-2-octenoate FL/FR balsamic abies alba cone oil FR abies alba leaf extract FR abies alba needle oil FL/FR arabinogalactan CS dextro- borneol FL/FR dextro,laevo- 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 cypress absolute FR dextro- fenchone FL/FR fir balsam absolute FR fir balsam concrete FR fir carboxylate FR fir needle oil terpeneless canada FL/FR nopol FL/FR (Z)- pinane FR terpinyl isovalerate FL/FR verbenol FL/FR camphoreous camphor tree bark oil FL/FR fenchol FL/FR laevo- fenchone FL/FR hinoki leaf oil FR caramellic maltyl isobutyrate FL/FR maltyl propionate 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 gamma- damascone FR dihydrocarvyl acetate FL/FR geranyl valerate FL/FR linalool oxide (furanoid) FL/FR octyl isovalerate FL/FR phenethyl acetate FL/FR phenethyl hexanoate FL/FR 2- phenyl propyl isobutyrate FL/FR verdyl acetate FR fruity acetoin acetate FL/FR allyl 10-undecenoate FL/FR allyl 3,5,5-trimethyl hexanoate FL/FR allyl amyl glycolate 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 allyl salicylate FR (E,E)- allyl sorbate FL/FR allyl sorbate 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 amyl propionate FL/FR benzyl ethyl ether FL/FR benzyl isovalerate FL/FR iso butyl 2-butenoate FL/FR butyl butyrate FL/FR iso butyl butyrate FL/FR iso butyl furyl propionate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR 2-tert- butyl-5-methyl-2-propyl tetrahydrofuran FR cherry pentenoate FL/FR cinnamyl isobutyrate FL/FR cyclohexyl butyrate FL/FR cyclohexyl hexanoate FL/FR eriocephalus punctulatus flower oil 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 ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR ethyl-2-cyclopentenyl acetate FR geranyl isovalerate FL/FR 4- heptanone FL/FR (E)-2- hepten-1-yl acetate FL/FR heptyl isobutyrate FL/FR herbanate (Givaudan) FR linalyl hexanoate FL/FR methyl 2-methyl valerate FL/FR methyl 4-methyl valerate FL/FR methyl butyrate FL/FR methyl cyclohexyl acetate 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 fragrance FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR pineapple specialty FR prenyl isobutyrate FL/FR iso propyl 2-methyl butyrate FL/FR propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso 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 tropical indene FR tropical ionone FL/FR tropical thiazole FL/FR 2- undecanone FL/FR vanilla carboxylate FL/FR cis- woody acetate FR green cognac heptanone FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR ethyl (E)-4-decenoate FL/FR galbanum oxyacetate FR galbascone (IFF) FR heptanal dimethyl acetal 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 1- penten-3-ol FL/FR pineapple heptadienone 10% FR (E,E)- sorbyl isobutyrate FL/FR sorbyl isobutyrate FL/FR spirogalbanone (Givaudan) FR herbal benzyl octanoate FL/FR camphene carbinyl acetate FR 1,4- cineole FL/FR alpha- dihydroterpineol FL/FR dihydroterpinyl acetate FL/FR fir needle oil replacer FR herbal specialty FR herbal undecanone FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR hyssop oil FL/FR myrcenyl methyl ether FL/FR myrtenol FL/FR nopyl acetate FR pine hexanol FR L-(-)-alpha- pinene FL/FR laevo-beta- pinene FL/FR alpha- pinene FL/FR beta- pinene FL/FR pinocarveol FL/FR sage oleoresin FL/FR terpineol acetate FL/FR terpineols (unspec.) (mixed isomers) FL/FR terpinolene FL/FR tricyclo(5.2.1.02,6)dec-3-enyl acetate FR tricyclodecenyl isobutyrate FR viridiflorol FL/FR nutty 2- methyl-3-ethoxypyrazine FL/FR pine abies sibirica needle extract FR dipentene terpene hydrocarbon byproducts FR evergreen fragrance FR white pine bark oil FL/FR pine oil 85 FR pine specialty FR plectranthus glandulosus hook f. leaf oil cameroon FR trimethyl-3-cyclopentenyl acetonitrile FR spicy ayou wood oil FR nutmeg oil FL/FR outdoors specialty FR tea tree oil FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR ethyl methyl mercaptopropionate FL/FR passiflora acetate FL/FR terpenic frankincense oil FL/FR laevo- limonene FL/FR pine needle oil dwarf FL/FR D-(+)-beta- pinene FL/FR pinus nigra twig leaf oil FR alpha- terpineol FL/FR tropical cis- galbanum oxathiane FL/FR pina colada fragrance 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 cedarwood oil port orford FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-ol FL/FR gurjun balsam oil FR homalomena rubescens root oil FR juniper berry oil terpenes FR juniper needle oil FR para- menth-3-en-1-ol FL/FR myoporum crassifolium wood oil FR myrtenyl formate FL/FR nopyl aldehyde FR cis-2- pinanol FR tetrahydromugol FR (Z)- woody amylene 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 (E,E)- allyl sorbate FL/FR allyl sorbate FL/FR allyl valerate FL ambroxide FL/FR iso amyl 3-methyl thiopropionate FL amyl propionate FL/FR benzyl ethyl ether 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 cyclohexyl hexanoate 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 3-octenoate FL 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 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 D-(+)-beta- pinene FL/FR L-(-)-alpha- pinene FL/FR laevo-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 viridiflorol FL/FR iso butyl furyl propionate FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR 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 caramellic maltyl propionate 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 tropical ionone 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 amyl hexanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR benzyl isovalerate FL/FR iso butyl butyrate FL/FR butyl butyrate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR cinnamyl isobutyrate FL/FR ethyl (E)-2-octenoate FL 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 ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR furfuryl valerate FL 4- heptanone FL/FR methionyl butyrate FL methyl (E)-2-octenoate FL/FR 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 iso propyl butyrate FL/FR 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 iso butyl 2-butenoate FL/FR cassis pentanone FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR cis- galbanum oxathiane FL/FR geranyl isovalerate FL/FR heptanal dimethyl acetal 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 1- penten-3-ol FL/FR herbal hyssop oil FL/FR sage oleoresin FL/FR verbenol FL/FR honey phenethyl acetate FL/FR jammy maltyl isobutyrate 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 buchu mercaptan FL/FR ethyl methyl mercaptopropionate FL/FR methyl 2-(methyl thio) butyrate FL methyl 4-(methyl thio) butyrate FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR terpenic abies alba needle oil FL/FR laevo- limonene FL/FR para- menthatriene FL tropical passiflora acetate FL/FR 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 2- undecanone 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 fruit FL fruit tropical fruit FR pineapple   Occurrence (nature, food, other):note   mango fruit Search Trop Picture   pawpaw dunal fruit Search Trop Picture   pineapple fruit Search Trop Picture   Synonyms:   methyl (4Z)-oct-4-enoate   methyl (Z)-oct-4-enoate   methyl cis-4-octenoate   methyl oct-4(cis)-enoate (Z)-4- octenoic acid methyl ester cis-4- octenoic acid, methyl ester 4- octenoic acid, methyl ester, (4Z)- 4- octenoic acid, methyl ester, (Z)-   Articles: US Patents:3,953,377 - Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions

Notes: Constit. of pineapple and other fruit aromas. Flavouring ingredient