3-hexenyl 2-ethyl butyrate
hex-3-enyl-2-ethylbutyrate

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CAS Number: 233666-04-1 3D/inchi FDA UNII: Search Molecular Weight: 198.30574000 Formula: C12 H22 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Mixture of (Z)- and (E)-isomers (EFFA, 2010), 60-90 % E-form and 10-40 % Z-form (EFFA, 2013a). 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 DG SANTE Food Flavourings: 09.884 hex-3-enyl-2-ethylbutyrate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 97.00 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: 1.42600 to 1.43200 @ 20.00 °C. Boiling Point: 243.00 °C. @ 760.00 mm Hg Boiling Point: 251.00 to 252.00 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.020800 mmHg @ 25.00 °C. (est) Flash Point: 181.00 °F. TCC ( 83.20 °C. ) (est) logP (o/w): 4.360 (est) Soluble in:   alcohol   water, 6.351 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers:   None found   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   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.58 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II   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): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 Meat and meat products, including poultry and game (08.0): 2.00000 10.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.00000 10.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000 25.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): 20.00000 100.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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): 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 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 :53431298 National Institute of Allergy and Infectious Diseases:Data hex-3-en-1-yl 2-ethylbutanoate   References:   hex-3-en-1-yl 2-ethylbutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 53431298 Pubchem (cas): 233666-04-1   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 HMDB (The Human Metabolome Database): Search   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms:   hex-3-enyl-2-ethylbutanoate   hex-3-enyl-2-ethylbutyrate 3- hexen-1-yl 2-ethyl butanoate 3- hexen-1-yl 2-ethyl butyrate 3- hexen-1-yl 2-ethylbutanoate 3- hexen-1-yl 2-ethylbutyrate 3- hexen-1-yl-2-ethyl butyrate   Articles:   None found yet. 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Notes: None found

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