(E)-2-hexen-1-yl isovalerate
trans-2-hexenyl isovalerate

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  68698-59-9 trans-2-Hexenyl Isovalerate

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  Synerzine, Inc.

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  W01736 trans-2-hexenyl isobutyrate

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  Product(s):
  I0317 trans-2-Hexenyl Isovalerate >90.0%(GC)
  SDS

Name: [(E)-hex-2-enyl] 3-methylbutanoate CAS Number: 68698-59-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 272-088-0 FDA UNII: 8J63B79Z9Z Nikkaji Web: J183.055D MDL: MFCD00036544 XlogP3-AA: 3.20 (est) Molecular Weight: 184.27880000 Formula: C11 H20 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: NMR 95% (2E)-isomer 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: 1377 trans-2-hexenyl isovalerate FEMA Number: 3930 trans-2-hexenyl isovalerate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 68698-59-9 ; (E)-2-HEXENYL ISOVALERATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.87500 to 0.88500 @ 25.00 °C. Pounds per Gallon - (est).: 7.281 to 7.364 Refractive Index: 1.42500 to 1.43500 @ 20.00 °C. Boiling Point: 105.00 °C. @ 20.00 mm Hg Vapor Pressure: 0.062000 mmHg @ 25.00 °C. (est) Flash Point: 180.00 °F. TCC ( 82.22 °C. ) logP (o/w): 3.990 (est) Soluble in:   alcohol   water, 19.61 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl valerate 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 (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: green green waxy apple pear banana grape Odor Description:at 10.00 % in dipropylene glycol. green waxy apple pear banana grape green fresh waxy apple pear banana cortex fusel grape vegetable Odor Description:at 1.00 %. Green, fresh waxy apple, pear and banana-like with nuances of viney fusel grape and vegetables Mosciano, Gerard P&F 25, No. 5, 72, (2000) Flavor Type: green green apple fruity oily waxy fruity Taste Description: at 1.00 - 5.00 ppm. Green apple, fruity with an oily waxy nuance and a lingering fruity aftertaste Mosciano, Gerard P&F 25, No. 5, 72, (2000) Odor and/or flavor descriptions from others (if found). Bedoukian Research trans-2-HEXEN-1-YL ISOVALERATE Odor Description:Fruity, buttery odor. Not as sweet as other hexenyl esters. Used in specialty fragrances. Taste Description:fruity Can be used to balance the overly-sweet notes of the other hexenyl esters.   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. trans-2-Hexenyl Isovalerate CJ Latta & Associates TRANS-2-HEXENYL ISOVALERATE Parchem (E)-2-hexen-1-yl isovalerate Penta International TRANS-2-HEXENYL ISOVALERATE Synerzine trans-2-hexenyl isobutyrate TCI AMERICA For experimental / research use only. trans-2-Hexenyl Isovalerate >90.0%(GC) sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): None - None found. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.   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: oral-rat LD50 > 5000 mg/kg Can be used to balance the overly-sweet notes of the other hexenyl esters. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Can be used to balance the overly-sweet notes of the other hexenyl esters. 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 (E)-2-hexen-1-yl isovalerate usage levels up to:   5.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 1.40 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1700 (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: 19 Click here to view publication 19   average usual ppm average maximum ppm baked goods: 7.00000 11.00000 beverages(nonalcoholic): 2.50000 4.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 4.00000 7.00000 fruit ices: - - gelatins / puddings: 5.00000 7.00000 granulated sugar: - - gravies: - - hard candy: 8.00000 9.00000 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: 6.00000 9.00000 soups: - - sugar substitutes: - - sweet sauces: - -   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): - - 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): 6.02000 20.87000 Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 4.80000 11.55000 Bakery wares (07.0): 5.00000 17.00000 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): - - Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - 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): - -   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 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):68698-59-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5352460 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 [(E)-hex-2-enyl] 3-methylbutanoate Chemidplus:0068698599   References:   [(E)-hex-2-enyl] 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 68698-59-9 Pubchem (cid): 5352460 Pubchem (sid): 135067449   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): HMDB38274 FooDB: FDB017572 Export Tariff Code: 2915.90.5050 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aldehydic lily pentanal FR 2- methyl undecanal dimethyl acetal FR balsamic iso amyl benzoate FL/FR citrus (E)-2- tetradecenal FL/FR creamy 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR dairy methyl butyl phenyl acetate FL/FR earthy methyl undecylenate FL/FR ethereal iso propyl acetate FL/FR fatty allyl octanoate FL/FR 2,4- decadien-1-ol FL/FR (E,E)-2,4- decadien-1-ol FL/FR methyl (E)-2-hexenoate FL/FR (E)-2- octenal FL/FR fermented methyl decanoate FL/FR floral (S)- citronellyl acetate FL/FR floral undecenone FR geranyl acetate FL/FR geranyl formate FL/FR hexyl 2-furoate FL/FR hydroxycitronellal FL/FR hydroxycitronellal dimethyl acetal FL/FR jasmin cyclopentanol FR muguet carbinol FL/FR phenethyl hexanoate FL/FR fruity allyl cyclohexyl acetate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl isovalerate FL/FR iso amyl 2-methyl butyrate FL/FR amyl acetate FL/FR iso amyl butyrate FL/FR alpha- amyl cinnamyl isovalerate FL/FR iso amyl hexanoate FL/FR amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl isovalerate FL/FR apple ketal FL/FR benzyl propionate FL/FR iso butyl hexanoate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl valerate FL/FR butyl valerate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR diethyl malonate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl acetoacetate FL/FR ethyl hexanoate FL/FR geranyl butyrate FL/FR geranyl isovalerate FL/FR grape butyrate FL/FR green acetate FR (Z)-3- hexen-1-yl 2-methyl-2-pentenoate FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR methyl (E,Z)-2,4-decadienoate FL/FR methyl 2-methyl butyrate FL/FR methyl 2-methyl valerate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR 2- methyl butyl isovalerate FL/FR methyl heptanoate FL/FR methyl nonanoate FL/FR octen-1-yl cyclopentanone FL/FR propyl 2,4-decadienoate FL/FR propyl hexanoate FL/FR green iso amyl formate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR ethyl (E)-2-decenoate FL/FR (Z)-3- hepten-1-yl acetate FL/FR heptyl formate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR hexyl phenyl acetate FL/FR marigold pot absolute FL/FR melon nonenoate FL/FR neryl butyrate FL/FR 3,6- nonadien-1-yl acetate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR (E)-2- nonen-1-ol FL/FR 3- octyl formate FL/FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde ethylene glycol acetal FR herbal linalyl isovalerate FL/FR 3- octyl acetate FL/FR tagete oil india FL/FR melon (Z)-6- nonen-1-ol FL/FR oily petal pyranone FL/FR spicy cinnamyl isovalerate FL/FR tropical ethyl (Z)-3-hexenoate FL/FR vegetable 1- furfuryl pyrrole FL/FR waxy decanal diethyl acetal FL/FR 9- decenoic acid FL/FR dodecyl acetate FL/FR (E)- methyl geranate FL/FR 2- methyl heptanoic acid FL/FR methyl octanoate FL/FR 2- nonanol FL/FR (Z)-3- nonen-1-ol FL/FR octanol FL/FR phenethyl octanoate FL/FR For Flavor No flavor group found for these ethyl (Z)-3-hexenoate FL/FR (Z)-3- hepten-1-yl acetate FL/FR 2- hexenal diethyl acetal FL methyl (E,Z)-2,4-decadienoate FL/FR methyl (E)-2-hexenoate FL/FR (E)- methyl geranate FL/FR apple apple green apple concentrate FL red apple concentrate FL candy candied apple flavor FL caramellic caramel apple flavor FL dairy methyl butyl phenyl acetate FL/FR estery ethyl acetoacetate FL/FR ethereal iso propyl acetate FL/FR fatty allyl octanoate FL/FR 2,4- decadien-1-ol FL/FR (E,E)-2,4- decadien-1-ol FL/FR heptyl formate FL/FR methyl decanoate FL/FR 2,4- octadien-1-ol FL (E)-2- octenal FL/FR floral (S)- citronellyl acetate FL/FR muguet carbinol FL/FR fruity allyl cyclohexyl acetate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl isovalerate FL/FR iso amyl 2-methyl butyrate FL/FR amyl acetate FL/FR iso amyl benzoate FL/FR alpha- amyl cinnamyl isovalerate FL/FR amyl hexanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR apple apricot flavor FL apple banana flavor FL apple blueberry flavor FL apple cherry flavor FL apple cider flavor FL apple cobbler flavor FL apple concentrate FL apple distillates FL golden delicious apple flavor FL baked apple flavor FL delicious apple flavor FL gala apple flavor FL mcintosh apple flavor FL green apple flavor FL red apple flavor FL red delicious apple flavor FL fuji apple flavor FL granny smith apple flavor FL pippin apple flavor FL apple ketal FL/FR benzyl propionate FL/FR iso butyl hexanoate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl valerate FL/FR butyl valerate FL/FR cinnamyl isovalerate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR diethyl malonate FL/FR ethyl (E)-2-decenoate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl 3-hexenoate FL/FR ethyl hexanoate FL/FR furfuryl propionate FL geranyl butyrate FL/FR 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR hexyl phenyl acetate FL/FR linalyl isovalerate FL/FR methyl 2-methyl butyrate FL/FR methyl 2-methyl valerate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR 2- methyl butyl isovalerate FL/FR methyl heptanoate FL/FR octen-1-yl cyclopentanone FL/FR phenethyl octanoate FL/FR propyl hexanoate FL/FR green iso amyl formate FL/FR iso amyl isovalerate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR geranyl acetate FL/FR geranyl formate FL/FR geranyl isovalerate FL/FR grape butyrate FL/FR heptanal 2,3-butane diol acetal FL (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl 2-furoate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR marigold pot absolute FL/FR melon nonenoate FL/FR methyl 2-undecynoate FL methyl octanoate FL/FR 4- methyl-2-pentenal FL neryl butyrate FL/FR 3,6- nonadien-1-yl acetate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR (E)-2- nonen-1-ol FL/FR 3- octyl acetate FL/FR phenoxyethyl isobutyrate FL/FR herbal tagete oil india FL/FR melon propyl 2,4-decadienoate FL/FR oily petal pyranone FL/FR sweet apple brown sugar flavor FL vegetable 1- furfuryl pyrrole FL/FR waxy iso amyl butyrate FL/FR decanal diethyl acetal FL/FR 9- decenoic acid FL/FR dodecyl acetate FL/FR furfuryl octanoate FL hydroxycitronellal FL/FR hydroxycitronellal dimethyl acetal FL/FR 2- methyl heptanoic acid FL/FR methyl undecylenate FL/FR 2- nonanol FL/FR (Z)-3- nonen-1-ol FL/FR (Z)-6- nonen-1-ol FL/FR octanol FL/FR 3- octyl formate FL/FR phenethyl hexanoate FL/FR (E)-2- tetradecenal FL/FR winey methyl nonanoate FL/FR   Potential Uses: FR apple FR banana FR berry FR blueberry FR butter FR fruit FR grape FR guava FR kiwi FR pear FR plum FR strawberry FL tropical FR wine   Occurrence (nature, food, other):note   lettuce lamb's lettuce Search Trop Picture   mint oils Search Trop Picture   pepper tabasco pepper Search PMC Picture   Synonyms:   butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester   butanoic acid, 3-methyl-, (2E)-2-hexenyl ester   butanoic acid, 3-methyl-, 2-hexenyl ester, (E)-   butyric acid, 3-methyl-, trans-hex-2-en-1-yl ester (2E)- hex-2-en-1-yl 3-methylbutanoate (E)- hex-2-enyl 3-methyl butanoate (E)- hex-2-enyl isovalerate [(E)- hex-2-enyl] 3-methylbutanoate (E)-2- hexen-1-yl 3-methyl butanoate (E)-2- hexen-1-yl isopentanoate (E)-2- hexen-1-yl isovalerate trans-2- hexen-1-yl isovalerate (E)-2- hexen-1-yl-3-methyl butanoate (2E)-2- hexenyl 3-methylbutanoate (2E)- hexenyl isovalerate (E)-2- hexenyl isovalerate trans-2- hexenyl isovalerate trans-2- hexenyl isovalerate (natural) 3- methyl butanoic acid (2E)-2-hexen-1-yl ester (E)-3- methyl butanoic acid 2-hexen-1-yl ester   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring ingredient