(E)-hexyl crotonate
trans-hexyl crotonate

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Name: hexyl (E)-but-2-enoate CAS Number: 1617-25-0 3D/inchi FDA UNII: L8K16M475M Nikkaji Web: J57.852E Beilstein Number: 2431113 XlogP3: 3.20 (est) Molecular Weight: 170.25186000 Formula: C10 H18 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Register CASrn refers to the (E)-isomer. 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 DG SANTE Food Flavourings: 09.578 hexyl (E)-but-2-enoate   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 213.00 to 215.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.146000 mmHg @ 25.00 °C. (est) Flash Point: 192.00 °F. TCC ( 88.89 °C. ) logP (o/w): 3.973 (est) Soluble in:   alcohol   water, 52.1 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 (E)-3-hexen-1-yl crotonate octyl crotonate phenethyl crotonate 3-phenyl propyl crotonate plum crotonate isopropyl (E)-crotonate propyl crotonate isopropyl 3-methyl thiocrotonate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: 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: flavoring agents Recommendation for (E)-hexyl crotonate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 2.60 (μg/capita/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I   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): Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters View page or View pdf Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):1617-25-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5366038 National Institute of Allergy and Infectious Diseases:Data hexyl (E)-but-2-enoate Chemidplus:0001617250   References:   hexyl (E)-but-2-enoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5366038 Pubchem (sid): 135036906 Pherobase: View   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 CHEMBL: View HMDB (The Human Metabolome Database): Search VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor aldehydic citrus carbaldehyde FR dodecanal (aldehyde C-12 lauric) FL/FR nonanal (aldehyde C-9) FL/FR octanal (aldehyde C-8) FL/FR 10- undecenal (aldehyde C-11 undecylenic) FL/FR animal para- cresyl caprylate FL/FR balsamic iso amyl benzoate FL/FR amyris wood oil FL/FR cinnamyl alcohol FL/FR clover nitrile FR fir needle oil siberia FL/FR 3- phenyl propyl alcohol FL/FR citrus bergamot oil bergaptene reduced italy FL/FR dihydromyrcenol FL/FR tetrahydromyrcenol FR floral iso amyl salicylate FL/FR benzyl acetate FL/FR benzyl isobutyrate FL/FR bois de rose oil brazil FL/FR iso butyl salicylate FL/FR citronellyl acetate FL/FR coriander seed oil FL/FR cyclohexyl ethyl alcohol FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl butyrate FL/FR floral pyranol FR gardenia oxide FR geranyl acetate FL/FR (Z)-3- hexen-1-yl salicylate FL/FR alpha- hexyl cinnamaldehyde FL/FR ho leaf oil FR leerall FR linalool FL/FR laevo- linalool FL/FR linalool oxide FL/FR methyl dihydrojasmonate FL/FR mimosa absolute france FL/FR muguet carboxaldehyde FR nerolidol FL/FR neryl acetate FL/FR ocean propanal FL/FR petitgrain oil paraguay FL/FR rose butanoate FL/FR tetrahydrolinalool FL/FR violet methyl carbonate FR fruity allyl amyl glycolate FR iso amyl butyrate FL/FR benzyl propionate FL/FR diethyl malonate FL/FR ethyl heptanoate FL/FR green acetate FR hexyl acetate FL/FR green acetaldehyde ethyl phenethyl acetal FL/FR galbanum oil FL/FR (Z)-3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR hexyl 2-methyl butyrate FL/FR 2,4- ivy carbaldehyde FL/FR (Z)- leaf acetal FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR methyl octine carbonate FL/FR (E,Z)-2,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadienal FL/FR phenyl acetaldehyde FL/FR phenyl acetaldehyde dimethyl acetal FL/FR 3- phenyl propionaldehyde FL/FR styralyl acetate FL/FR violet leaf absolute FL/FR herbal clary sage oil france FL/FR lavender absolute bulgaria FL/FR marine green algae absolute FL/FR melon melon heptenal FL/FR mossy oakmoss absolute FL/FR powdery para- anisyl alcohol FL/FR spicy black pepper oil FL/FR pimenta acris leaf oil FL/FR terpenic alpha- terpineol FL/FR woody spruce needle oil canada FL/FR woody acetate FR (Z)- woody amylene FR For Flavor No flavor group found for these green algae absolute FL/FR aldehydic aldehydic nonanal (aldehyde C-9) FL/FR octanal (aldehyde C-8) FL/FR animal para- cresyl caprylate FL/FR apple (E,Z)-2,6- nonadien-1-ol FL/FR balsamic fir needle oil siberia FL/FR citrus bergamot oil bergaptene reduced italy FL/FR laevo- linalool FL/FR linalool FL/FR alpha- terpineol FL/FR cooling iso butyl salicylate FL/FR fatty (Z)-3- hexen-1-yl benzoate FL/FR 10- undecenal (aldehyde C-11 undecylenic) FL/FR floral bois de rose oil brazil FL/FR citronellyl acetate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl butyrate FL/FR methyl dihydrojasmonate FL/FR neryl acetate FL/FR ocean propanal FL/FR tetrahydrolinalool FL/FR fruity iso amyl benzoate FL/FR para- anisyl alcohol FL/FR benzyl acetate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR diethyl malonate FL/FR ethyl heptanoate FL/FR hexyl acetate FL/FR rose butanoate FL/FR styralyl acetate FL/FR green acetaldehyde ethyl phenethyl acetal FL/FR iso amyl salicylate FL/FR cinnamyl alcohol FL/FR cyclohexyl ethyl alcohol FL/FR dihydromyrcenol FL/FR galbanum oil FL/FR geranyl acetate FL/FR (Z)-3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl salicylate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR hexyl 2-methyl butyrate FL/FR 2,4- ivy carbaldehyde FL/FR (Z)- leaf acetal FL/FR linalool oxide FL/FR melon heptenal FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR methyl octine carbonate FL/FR nerolidol FL/FR (E,Z)-2,6- nonadienal FL/FR oakmoss absolute FL/FR phenyl acetaldehyde dimethyl acetal FL/FR 3- phenyl propionaldehyde FL/FR violet leaf absolute FL/FR herbal clary sage oil france FL/FR coriander seed oil FL/FR lavender absolute bulgaria FL/FR petitgrain oil paraguay FL/FR honey phenyl acetaldehyde FL/FR soapy dodecanal (aldehyde C-12 lauric) FL/FR spicy black pepper oil FL/FR 3- phenyl propyl alcohol FL/FR pimenta acris leaf oil FL/FR waxy iso amyl butyrate FL/FR alpha- hexyl cinnamaldehyde FL/FR mimosa absolute france FL/FR woody amyris wood oil FL/FR spruce needle oil canada FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   carica candamarcensis Search Trop Picture   passiflora mollissima Search Trop Picture   passiflora species - up to 0.01 mg/kg Search PMC Picture   Synonyms: (2E)-2- butenoic acid (E)-hexyl ester 2- butenoic acid, hexyl ester, (2E)- 2- butenoic acid, hexyl ester, (E)- (E)- crotonic acid (E)-hexyl ester trans- crotonic acid trans-hexyl ester   crotonic acid, hexyl ester, (E)-   hexyl (2E)-but-2-enoate   hexyl (E)-but-2-enoate (E)- hexyl 2-butenoate trans- hexyl 2-butenoate trans- hexyl crotonate   hexyl trans-2-butenoate   hexyl trans-but-2-enoate   Articles:   None found yet. 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Notes: None found