(E)-3-hexen-1-yl crotonate
trans-3-hexenyl crotonate

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Name: [(E)-hex-3-enyl] (E)-but-2-enoate CAS Number: 68938-58-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 273-131-6 FDA UNII: Search Nikkaji Web: J332.767A XlogP3-AA: 2.70 (est) Molecular Weight: 168.23592000 Formula: C10 H16 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring 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   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.89400 to 0.90400 @ 25.00 °C. Pounds per Gallon - (est).: 7.439 to 7.522 Refractive Index: 1.42700 to 1.43700 @ 20.00 °C. Boiling Point: 223.00 to 224.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.085000 mmHg @ 25.00 °C. (est) Flash Point: 205.00 °F. TCC ( 96.11 °C. ) logP (o/w): 3.647 (est) Soluble in:   alcohol   water, 81.27 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl crotonate isoamyl crotonate apple crotonate benzyl crotonate butyl (E)-2-crotonate citronellyl crotonate cyclohexyl crotonate dimethyl benzyl carbinyl crotonate ethyl (E)-2-crotonate ethyl crotonate fig crotonate geranyl crotonate heptyl crotonate (Z)-3-hexen-1-yl (E)-crotonate hexyl (E)-crotonate octyl crotonate phenethyl crotonate 3-phenyl propyl crotonate plum crotonate isopropyl (E)-crotonate propyl crotonate isopropyl 3-methyl thiocrotonate   Organoleptic Properties: Odor Type: green green fresh dirty chemical metallic Odor Description:at 100.00 %. green, fresh, slightly dirty, chemical, and metallic 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: flavoring agents Recommendation for (E)-3-hexen-1-yl crotonate usage levels up to:   not for fragrance use.     Safety References: 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) 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 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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):68938-58-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6436990 National Institute of Allergy and Infectious Diseases:Data [(E)-hex-3-enyl] (E)-but-2-enoate Chemidplus:0065405803   References:   [(E)-hex-3-enyl] (E)-but-2-enoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6436990 Pubchem (sid): 135061834   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 ChemSpider: View   Potential Blenders and core components note For Odor balsamic annus wormwood oil france FL/FR floral muguet carbinol FL/FR For Flavor No flavor group found for these 4,4'- thiobis-2-butanone FL annus wormwood oil france FL/FR floral floral muguet carbinol FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: (3E)- hex-3-en-1-yl (2E)-but-2-enoate [(E)- hex-3-enyl] (E)-but-2-enoate (E)-3- hexen-1-yl (E)-2-butenoate trans-3- hexen-1-yl crotonate trans-3- hexen-1-yl trans-2-butenoate (E)-3- hexenyl crotonate trans-3- hexenyl crotonate   Articles: US Patents:8,183,200 - Organoleptic compound US Patents:Organoleptic compound

Notes: None found

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