(Z)-2-penten-1-yl hexanoate
pent-2-enyl hexanoate

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  74298-89-8 (Z)-Pent-2-enyl hexanoate

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Name: [(Z)-pent-2-enyl] hexanoate CAS Number: 74298-89-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 277-808-7 FDA UNII: YQW0S1365R Nikkaji Web: J127.239J XlogP3-AA: 3.30 (est) Molecular Weight: 184.27880000 Formula: C11 H20 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: The chemical name should be changed to Pent-(2Z)-enyl hexanoate, in accordance with the CAS number and the specifcations provided (Documentation provided to EFSA nr: 1) 95% (2Z)-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: 1795 (Z)-pent-2-enyl hexanoate DG SANTE Food Flavourings: 09.678 pent-2-enyl hexanoate FEMA Number: 4191 pent-2-enyl hexanoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 74298-89-8 ; PENT-2-ENYL HEXANOATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.88500 to 0.89500 @ 25.00 °C. Pounds per Gallon - (est).: 7.364 to 7.447 Refractive Index: 1.42500 to 1.43500 @ 20.00 °C. Boiling Point: 236.00 to 237.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.046000 mmHg @ 25.00 °C. (est) Flash Point: 181.00 °F. TCC ( 82.78 °C. ) logP (o/w): 4.174 (est) Soluble in:   alcohol   water, 16.97 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl hexanoate allyl thiohexanoate amyl hexanoate isoamyl hexanoate para-anisyl hexanoate benzyl hexanoate butyl hexanoate isobutyl hexanoate sec-butyl hexanoate cinnamyl hexanoate citronellyl hexanoate meta-cresyl hexanoate para-cresyl hexanoate cyclohexyl hexanoate decyl hexanoate dimethyl benzyl carbinyl hexanoate ethyl 2-acetyl hexanoate ethyl hexanoate furfuryl hexanoate geranyl hexanoate heptyl hexanoate sec-heptyl hexanoate (E)-3-hexen-1-yl hexanoate (E)-2-hexen-1-yl hexanoate (Z)-3-hexen-1-yl hexanoate hexyl hexanoate linalyl hexanoate menthyl hexanoate 3-mercaptohexyl hexanoate 2-methyl butyl hexanoate methyl hexanoate methyl thiohexanoate neryl hexanoate octyl hexanoate phenethyl hexanoate 3-phenyl propyl hexanoate prenyl hexanoate propyl hexanoate isopropyl hexanoate sulfuryl hexanoate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. (Z)-Pent-2-enyl hexanoate Parchem (Z)-2-penten-1-yl hexanoate 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 (Z)-2-penten-1-yl hexanoate usage levels up to:   0.8000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): ND (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: 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): - - 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 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 ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5363141 National Institute of Allergy and Infectious Diseases:Data [(Z)-pent-2-enyl] hexanoate Chemidplus:0074298898   References:   [(Z)-pent-2-enyl] hexanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 74298-89-8 Pubchem (cid): 5363141 Pubchem (sid): 135232967   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): HMDB32461 FooDB: FDB010038 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor citrus bergamot acetoacetate FR bergamot oil bergaptene reduced italy FL/FR dihydromyrcenyl acetate FR alpha- methylene citronellal FR myrcenyl acetate FL/FR alpha- terpinyl methyl ether FL/FR ethereal butyl acetate FL/FR cyclohexyl formate FL/FR iso propyl acetate FL/FR fatty allyl octanoate FL/FR methyl (E)-2-hexenoate FL/FR (E)-2- octenal FL/FR floral citronellyl formate FL/FR ethyl linalool FR linalyl benzoate FL/FR linalyl butyrate FL/FR linalyl propionate FL/FR neryl isovalerate FL/FR phenethyl hexanoate FL/FR terpinyl isobutyrate FL/FR tetrahydrolinalyl acetate FR violet methyl carbonate FR fruity allyl heptanoate FL/FR allyl isovalerate FL/FR allyl salicylate FR iso amyl acetate FL/FR amyl acetate FL/FR amyl butyrate FL/FR iso amyl butyrate FL/FR amyl heptanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR amyl isobutyrate FL/FR iso amyl propionate FL/FR benzyl propionate FL/FR iso butyl 2-butenoate FL/FR iso butyl acetate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR 2- ethyl butyl acetate FL/FR ethyl hexanoate FL/FR furfuryl acetate FL/FR (E)-2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR hexyl acetate FL/FR hexyl formate FL/FR linalyl isobutyrate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl acetate FL/FR methyl butyrate FL/FR nerolidyl isobutyrate FR ocimen-1-yl acetate FR 2- pentanone FL/FR pineapple pentenoate FL/FR prenyl acetate FL/FR iso propyl octanoate FL/FR iso propyl propionate FL/FR green cognac heptanone FL/FR (Z)-3- hepten-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR laevo- linalyl acetate FL/FR dextro- linalyl acetate FL/FR (Z)-5- octen-1-yl propionate FL/FR herbal iso amyl heptanoate FL/FR bergamot mint herb oil FR cuminyl acetate FL/FR linalyl acetate FL/FR linalyl formate FL/FR linalyl isovalerate FL/FR 3- octyl acetate FL/FR terpineol acetate FL/FR waxy ethyl octanoate FL/FR woody alpha- farnesene FL/FR For Flavor No flavor group found for these amyl isobutyrate FL/FR cuminyl acetate FL/FR diethyl maleate FL (Z)-3- hepten-1-yl acetate FL/FR laevo- linalyl acetate FL/FR dextro- linalyl acetate FL/FR methyl (E)-2-hexenoate FL/FR terpineol acetate FL/FR terpinyl isobutyrate FL/FR citrus citrus bergamot oil bergaptene reduced italy FL/FR cognac heptanone FL/FR myrcenyl acetate FL/FR estery furfuryl acetate FL/FR ethereal butyl acetate FL/FR iso propyl acetate FL/FR fatty allyl octanoate FL/FR (E)-2- octenal FL/FR floral linalyl acetate FL/FR linalyl butyrate FL/FR linalyl isobutyrate FL/FR fruity allyl heptanoate FL/FR allyl isovalerate FL/FR iso amyl acetate FL/FR amyl acetate FL/FR amyl butyrate FL/FR amyl heptanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl propionate FL/FR benzyl propionate FL/FR iso butyl acetate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR citronellyl formate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR 2- ethyl butyl acetate FL/FR ethyl hexanoate FL/FR furfuryl propionate FL (E)-3- hexen-1-yl acetate FL/FR hexyl acetate FL/FR linalyl benzoate FL/FR linalyl isovalerate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl acetate FL/FR neryl isovalerate FL/FR 2- pentanone FL/FR pineapple pentenoate FL/FR prenyl acetate FL/FR iso propyl octanoate FL/FR iso propyl propionate FL/FR fusel methyl butyrate FL/FR green iso butyl 2-butenoate FL/FR cyclohexyl formate FL/FR alpha- farnesene FL/FR (E)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR hexyl formate FL/FR (Z)-5- octen-1-yl propionate FL/FR 3- octyl acetate FL/FR herbal iso amyl heptanoate FL/FR linalyl formate FL/FR linalyl propionate FL/FR waxy iso amyl butyrate FL/FR ethyl octanoate FL/FR phenethyl hexanoate FL/FR woody alpha- terpinyl methyl ether FL/FR   Potential Uses: FR almond FR almond FR apple FR crabapple FR apple green apple FR apple red apple FR apricot FL arrack FR banana FR berry FR berry jam FR blackberry FR blueberry FR boronia FR boxwood berry FR boysenberry FR bramble arctic bramble blackberry FL brandy apricot brandy FR bubble gum FR cherry FR cherry black cherry FL cherry maraschino cherry FL cherry wild cherry FL cloudberry bakeapple FR colonia FR currant FR currant black currant FR currant red currant FR date FR davana oil replacer FL durian FR eglantine FR elder berry FR fig FR fruit   fruit dried fruit   fruit jam FR fruit juicy fruit FL fruit punch FL fruit tropical fruit FR gooseberry FR grape FR grape concord grape FL grape white grape FR guava FR hibiscus FR honeydew FR huckleberry FL/FR immortelle FR iris blossom FL jackfruit   jam FR kiwi FR loganberry FR lychee FR mango FL/FR marigold FR melon FR melon FR mulberry FR myrtle oil replacer FL/FR orange bitter orange peel FR osmanthus FR papaya FR passion blossom FR passion fruit FR peach FR pear FL pear bartlett pear FL pear emperor pear FL/FR petitgrain bergamot petitgrain FR pineapple FR plum FL plum greengage plum   plum jam FR plum mirabelle plum FR pomegranate FR prune FR quince FR raisin FR raspberry FR raspberry black raspberry   raspberry green raspberry   raspberry jam FL raspberry red raspberry   ripe   rose wild rose FL/FR rue FR stephanotis FR strawberry   strawberry jam FR tangerine FL/FR valerian FR watermelon   Occurrence (nature, food, other):note   tea Search Trop Picture   Synonyms: (Z)- hexanoic acid 2-pentenyl ester   hexanoic acid, 2-pentenyl ester, (Z)-   pent-2-enyl hexanoate (Z)- pent-2-enyl hexanoate [(Z)- pent-2-enyl] hexanoate cis-2- penten-1-yl hexanoate (2Z)-2- pentenyl hexanoate (Z)-2- pentenyl hexanoate cis-2- pentenyl hexanoate   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]