methyl (Z)-3-hexenoate
methyl cis-3-hexenoate

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CAS Number: 13894-62-7 3D/inchi FDA UNII: 3737693N1Q Nikkaji Web: J126.492C XlogP3-AA: 1.50 (est) Molecular Weight: 128.17104000 Formula: C7 H12 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) 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: 1624 methyl (Z)-3-hexenoate DG SANTE Food Flavourings: 09.937 methyl (3Z)-hexenoate FEMA Number: 4164 methyl cis-3-hexenoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 13894-62-7 ; METHYL CIS-3-HEXENOATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.91400 to 0.92400 @ 25.00 °C. Pounds per Gallon - (est).: 7.605 to 7.689 Refractive Index: 1.42200 to 1.43000 @ 20.00 °C. Boiling Point: 145.00 to 146.00 °C. @ 760.00 mm Hg Boiling Point: 85.00 °C. @ 80.00 mm Hg Vapor Pressure: 4.782000 mmHg @ 25.00 °C. (est) Flash Point: 139.00 °F. TCC ( 59.44 °C. ) logP (o/w): 2.059 (est) Soluble in:   alcohol   water, slightly   water, 1439 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity fruity Odor Description:fruity floral Flavor Type: fruity fruity Taste Description: fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 3-Hexenoic acid, methylester, (3Z)- Parchem methyl (Z)-3-hexenoate   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 methyl (Z)-3-hexenoate usage levels up to:   0.6000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 120.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 800 (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: 5.00000 20.00000 beverages(nonalcoholic): 2.00000 10.00000 beverages(alcoholic): 5.00000 20.00000 breakfast cereal: 2.00000 10.00000 cheese: - - chewing gum: 5.00000 25.00000 condiments / relishes: 2.00000 20.00000 confectionery froastings: 5.00000 25.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: 5.00000 20.00000 fruit ices: 5.00000 20.00000 gelatins / puddings: 5.00000 20.00000 granulated sugar: - - gravies: - - hard candy: 10.00000 40.00000 imitation dairy: 2.00000 10.00000 instant coffee / tea: 2.00000 10.00000 jams / jellies: 5.00000 25.00000 meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: 1.00000 10.00000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 25.00000 100.00000 snack foods: - - soft candy: 10.00000 40.00000 soups: - - sugar substitutes: - - sweet sauces: 2.00000 10.00000   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): 0.02000 0.40000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.02000 0.40000 Edible ices, including sherbet and sorbet (03.0): 0.20000 4.00000 Processed fruit (04.1): 0.02000 0.40000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.02000 0.40000 Confectionery (05.0): 2.00000 40.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.40000 8.00000 Bakery wares (07.0): 0.20000 4.00000 Meat and meat products, including poultry and game (08.0): 0.02000 0.40000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.02000 0.40000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.02000 0.40000 Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.00000 40.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 2.00000 40.00000 Ready-to-eat savouries (15.0): 0.02000 0.40000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.02000 0.40000   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 Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4 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 :5362819 National Institute of Allergy and Infectious Diseases:Data methyl (Z)-hex-3-enoate Chemidplus:0013894627   References:   methyl (Z)-hex-3-enoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5362819 Pubchem (sid): 135319431   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): HMDB31504 FooDB: FDB017567 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR balsamic balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR citrus 2- heptanol FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR menthadienyl formate FR methoxymelonal FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR petitgrain lemon oil FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR rose undecene FR star fruit oil cuba FL/FR terpinyl valerate FL/FR tetrahydroionyl acetate FR fruity benzaldehyde / methyl anthranilate schiff's base FR berry hexanoate FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR eriocephalus punctulatus flower oil FR ethyl levulinate FL/FR heptyl isobutyrate FL/FR 3- mercaptohexyl acetate FL/FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR rhubarb pyran FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR green iso amyl 3-(2-furan) propionate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexoxyacetaldehyde dimethyl acetal FR herbal chamomile isobutyrate FR chamomile propionate FR chamomile valerate FR clary propyl acetate FR methyl cyclogeranate (Firmenich) FR powdery alpha- methyl ionone FL/FR spicy para- anisyl formate FL/FR woody 2- decalinyl acetate FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL iso amyl angelate FL/FR amyl angelate FL 2- butyl thiophene FL 2,4- difurfuryl furan FL S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl benzoate FL/FR iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR berry berry heptyl isobutyrate FL/FR burnt ethyl 2-furoate FL citrus petitgrain lemon oil FL/FR ethereal methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR tropical ionone FL/FR fruity benzyl acetate FL/FR benzyl formate FL/FR iso butyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR ethyl levulinate FL/FR 2- heptanol FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL methoxymelonal FL/FR methyl 4-phenyl butyrate FL alpha- methyl ionone FL/FR 3- nonanon-1-yl acetate FL/FR phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL star fruit oil cuba FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR green (E)- citronellyl tiglate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR honey phenethyl isobutyrate FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR waxy butyl undecylenate FL/FR 4- phenyl-3-buten-2-ol FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: FR hibiscus FR passion blossom   Occurrence (nature, food, other):note   champaca concrete @ trace% Data GC Search Trop Picture   guava fruit - up to 0.25 mg/kg Search Trop Picture   lulo fruit Search Trop Picture   pineapple fruit Search Trop Picture   Synonyms: (Z)-3- hexenoic acid methyl ester 3- hexenoic acid, methyl ester, (3Z)- 3- hexenoic acid, methyl ester, (Z)-   methyl (3Z)-hex-3-enoate   methyl (3Z)-hexenoate   methyl (Z)-hex-3-enoate   methyl cis-3-hexenoate   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]

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