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

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  Beijing Lys Chemicals Co, LTD.

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  BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services.
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  Product(s):
  10848 trans-2-Hexenyl octanoate

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  BOC Sciences

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  85554-72-9 (E)-2-Hexenyl Octanoate

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  Penta International Corporation

  Chemistry innovation
  At Penta, our products and services help businesses do business better.
  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  Product(s):
  08-34900 TRANS-2-HEXENYL OCTANOATE

CAS Number: 85554-72-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 287-605-5 FDA UNII: Q58DSI91MM Nikkaji Web: J310.676D XlogP3-AA: 5.00 (est) Molecular Weight: 226.35962000 Formula: C14 H26 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: The chemical name should be changed to (2E)-Hexenyl octanoate, in accordance with the CAS number and the specf?cations provided (Documentation provided to EFSA nr: 1) 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: 1796 (E)-2-hexenyl octanoate DG SANTE Food Flavourings: 09.841 2-hexenyl octanoate FEMA Number: 4135 2-hexenyl octanoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 85554-72-9 ; 2-HEXENYL OCTANOATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.88100 to 0.88700 @ 25.00 °C. Pounds per Gallon - (est).: 7.331 to 7.381 Refractive Index: 1.44800 to 1.45300 @ 20.00 °C. Boiling Point: 308.00 to 309.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 196.00 °F. TCC ( 91.11 °C. ) logP (o/w): 5.768 (est) Soluble in:   alcohol   water, 0.5682 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl octanoate amyl octanoate isoamyl octanoate benzyl octanoate butyl octanoate isobutyl octanoate citronellyl octanoate ortho-cresyl octanoate para-cresyl octanoate decyl octanoate ethyl 4-methyl octanoate ethyl octanoate furfuryl octanoate geranyl octanoate heptyl octanoate (Z)-3-hexen-1-yl octanoate hexyl octanoate linalyl octanoate 2-methyl butyl octanoate methyl octanoate nonyl octanoate octyl octanoate phenethyl octanoate propyl octanoate isopropyl octanoate sulfuryl octanoate   Organoleptic Properties: Odor Description:pear Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Octanoic acid,2-hexenyl ester, (E)- (9CI) Beijing Lys Chemicals trans-2-Hexenyl octanoate BOC Sciences For experimental / research use only. (E)-2-Hexenyl Octanoate Parchem (E)-2-hexen-1-yl octanoate Penta International TRANS-2-HEXENYL OCTANOATE   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 (E)-2-hexen-1-yl octanoate usage levels up to:   8.0000 % 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 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 ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5365136 National Institute of Allergy and Infectious Diseases:Data [(E)-hex-2-enyl] octanoate Chemidplus:0085554729   References:   [(E)-hex-2-enyl] octanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 85554-72-9 Pubchem (cid): 5365136 Pubchem (sid): 135209600   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): HMDB32321 FooDB: FDB009571 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor animal methyl (E)-2-octenoate FL/FR fermented hexanal diethyl acetal FL/FR floral hexyl 2-furoate FL/FR fruity iso amyl butyrate FL/FR amyl hexanoate FL/FR apple crotonate FR butyl isovalerate FL/FR ethyl (E)-4-octenoate FR ethyl 2-cyclohexyl propionate FR ethyl cyclohexane propionate FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR 2- hexenyl cyclopentanyl acetate FR hexyl (E)-tiglate FL/FR hexyl propionate FL/FR linalyl hexanoate FL/FR 3- mercaptohexyl acetate FL/FR methyl (E,Z)-2,4-decadienoate FL/FR methyl 2-octenoate FL/FR methyl 3-nonenoate FL/FR methyl nonanoate FL/FR nerolidyl isobutyrate FR (Z)-3- octen-1-yl propionate FL/FR pear valerate FR propyl 2,4-decadienoate FL/FR propyl acetate FL/FR propyl heptanoate FL/FR iso propyl isobutyrate FL/FR green acetaldehyde methyl hexyl acetal FR ethyl (E,Z)-2,4-decadienoate FL/FR ethyl (E)-2-decenoate FL/FR heptyl acetate FL/FR (Z)-3- hexen-1-yl (Z)-3-hexenoate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR hexyl isobutyrate FL/FR melon nonenoate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR 3,6- nonadien-1-yl acetate FL/FR sorbyl isobutyrate FL/FR melon (Z)-6- nonen-1-yl acetate FL/FR tropical ethyl (Z)-3-hexenoate FL/FR waxy ethyl octanoate FL/FR (E)-2- tridecen-1-yl acetate FL/FR For Flavor No flavor group found for these ethyl (Z)-3-hexenoate FL/FR ethyl cyclohexane propionate FL/FR hexanal diethyl acetal FL/FR hexyl propionate FL/FR linalyl hexanoate FL/FR cis+trans-para-1(7)8- menthadien-2-yl acetate FL methyl (E,Z)-2,4-decadienoate FL/FR methyl 2-octenoate FL/FR iso propyl isobutyrate FL/FR (E)-2- tridecen-1-yl acetate FL/FR sorbyl isobutyrate FL/FR estery estery propyl acetate FL/FR fruity amyl hexanoate FL/FR butyl isovalerate FL/FR ethyl (E)-2-decenoate FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR methyl (E)-2-octenoate FL/FR methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR (Z)-3- octen-1-yl propionate FL/FR green ethyl (E,Z)-2,4-decadienoate FL/FR heptyl acetate FL/FR (Z)-3- hexen-1-yl (Z)-3-hexenoate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR hexyl (E)-tiglate FL/FR hexyl 2-furoate FL/FR hexyl isobutyrate FL/FR melon nonenoate FL/FR 3,6- nonadien-1-yl acetate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR (Z)-6- nonen-1-yl acetate FL/FR (E,E)-2,4- octadienal FL 2,4- octadienal FL melon propyl 2,4-decadienoate FL/FR tropical 3- mercaptohexyl acetate FL/FR waxy iso amyl butyrate FL/FR ethyl octanoate FL/FR propyl heptanoate FL/FR winey methyl nonanoate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   nectarine Search PMC Picture   Synonyms:   ctanoic acid, 2-hexenyl ester, (E)- [(E)- hex-2-enyl] octanoate trans-2- hexen-1-yl octanoate trans-2- hexenyl N-octanoate (E)-2- hexenyl octanoate trans-2- hexenyl octanoate   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]