hexyl (E)-2-methyl-3-pentenoate
hexyl 2-methyl-3&4-pentenoate (mixture)

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  08-42225 HEXYL-2-METHYL-3-PENTENOATE

Name: hexyl (E)-2-methylpent-3-enoate CAS Number: 58625-95-9 3D/inchi FDA UNII: 6ZQ9AGD3IS Nikkaji Web: J310.588A XlogP3-AA: 4.00 (est) Molecular Weight: 198.30574000 Formula: C12 H22 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: JECFA evaluated hexyl 2-methyl-3&4-pentenoate (mixture) (CASrn as in Register). Register CASrn refers to the (E)-isomer. (R) or (S) enantiomer not specified by Register CASrn. 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: 352 hexyl 2-methyl-3&4-pentenoate (mixture) DG SANTE Food Flavourings: 09.546 hexyl-2-methylpent-(3 and 4)-enoate FEMA Number: 3693 hexyl 2-methyl-3&4-pentenoate (mixture) FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 977101-05-5 ; HEXYL 2-METHYL-3(OR 4)-PENTENOATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 99.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.87100 to 0.87600 @ 25.00 °C. Pounds per Gallon - (est).: 7.248 to 7.289 Refractive Index: 1.43100 @ 20.00 °C. Boiling Point: 57.00 to 61.00 °C. @ 2.00 mm Hg Boiling Point: 245.00 to 246.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.026000 mmHg @ 25.00 °C. (est) Flash Point: 176.00 °F. TCC ( 80.00 °C. ) logP (o/w): 4.532 (est) Soluble in:   alcohol   water, 6.351 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:tropical Odor and/or flavor descriptions from others (if found). Bedoukian Research HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) 97.0% min. Odor Description:A delicately tropical aroma reminiscent of melon or muscat grape with peppery back notes. Can be used as a fixative for lily of the valley, rose, hyacinth formulations. Taste Description:tropical A good base for tropicals and a good modifier for melon, grape, apple and pineapple flavors.   Cosmetic Information: None found   Suppliers: Penta International HEXYL-2-METHYL-3-PENTENOATE Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information: Preferred SDS: View   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: gavage-rat LD50 [sex: M/F] > 5000 mg/kg (Elleman, 1979) 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 hexyl (E)-2-methyl-3-pentenoate usage levels up to:   2.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day) 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: 13 Click here to view publication 13   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - 0.40000 beverages(alcoholic): - 0.40000 breakfast cereal: - - cheese: - - chewing gum: - 0.40000 condiments / relishes: - - confectionery froastings: - 0.40000 egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - 0.40000 granulated sugar: - - gravies: - - hard candy: - 0.40000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - 0.40000 soups: - - sugar substitutes: - - sweet sauces: - -   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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf 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 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 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 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 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 :6366072 National Institute of Allergy and Infectious Diseases:Data hexyl (E)-2-methylpent-3-enoate Chemidplus:0058625959   References:   hexyl (E)-2-methylpent-3-enoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6366072 Pubchem (sid): 135109272   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): Search Export Tariff Code: 2916.19.6000 ChemSpider: View   Potential Blenders and core components note For Odor acidic 2- ethyl butyric acid FL/FR caramellic maltyl isobutyrate FL/FR citrus 2,4- dimethyl-3-cyclohexene-1-methanyl acetate FR grapefruit mercaptan FL/FR coconut delta- octalactone FL/FR earthy 3- octanol FL/FR ethereal iso propyl formate FL/FR fatty allyl octanoate FL/FR 2,4- decadien-1-ol FL/FR (E,Z)-2,6- dodecadienal FL/FR (Z)-3- octen-1-ol FL/FR fermented propyl nonanoate FL/FR floral benzyl isobutyrate FL/FR citronellyl acetate FL/FR geranyl propionate FL/FR methoxycitronellal FR methoxymelonal FL/FR muguet carbaldehyde FR beta- ocimene FL/FR phenethyl acetate FL/FR rose butanoate FL/FR fruity allyl butyrate FL/FR allyl hexanoate FL/FR allyl propionate FL/FR amyl butyrate FL/FR iso amyl isovalerate FL/FR iso amyl propionate FL/FR berry pentadienoate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl valerate FL/FR cyclohexyl carboxylic acid FL/FR diethyl sebacate FL/FR ethyl 2-octenoate FL/FR 3- mercaptohexyl acetate FL/FR methyl 2-methyl valerate FL/FR methyl 3-nonenoate FL/FR methyl nonanoate FL/FR (Z)-3- octen-1-yl propionate FL/FR plum crotonate FR iso propyl 2-methyl butyrate FL/FR propyl 2,4-decadienoate FL/FR propyl hexanoate FL/FR propyl isobutyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical ionone FL/FR tropical thiazole FL/FR tropical trithiane FL/FR green ethyl (E,Z)-2,4-decadienoate FL/FR green heptenal FR heptanal dimethyl acetal FL/FR (Z)-3- hepten-1-ol 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 lactate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR 3- hexenal FL/FR hexyl 2-methyl butyrate FL/FR manzanate (Givaudan) FL/FR melon acetal FL/FR melon nonenoate FL/FR methyl octine carbonate FL/FR (Z,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR 3,6- nonadien-1-yl acetate FL/FR (Z)-2- nonen-1-ol FL/FR (E)-2- nonen-1-ol FL/FR (Z)-5- octen-1-ol FL/FR (Z)-5- octen-1-yl propionate FL/FR 1- penten-3-ol FL/FR terpinyl propionate FL/FR hay para- methyl phenoxyacetaldehyde FR herbal viridiflorol FL/FR melon melon carboxaldehyde FR melon heptenal FL/FR (Z)-6- nonen-1-ol FL/FR (Z)-6- nonen-1-yl acetate FL/FR (Z)-6- nonenal FL/FR watermelon ketone FR mushroom 3- octen-2-ol FL/FR phenolic 2'- hydroxyacetophenone FL/FR spicy cinnamyl isovalerate FL/FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR grapefruit menthane FL/FR lychee mercaptan acetate FL/FR mango thiol FL/FR passiflora acetate FL/FR 1- phenethyl mercaptan FL/FR S- tropical 2-thiobutyrate FL/FR terpenic gamma- terpinene FL/FR tropical genet absolute FL/FR hotrienol FL/FR tropical 3-thiobutyrate FL/FR 2- tropical oxathiane FL/FR waxy ethyl nonanoate FL/FR 2,4- nonadien-1-ol FL/FR (Z)-3- nonen-1-ol FL/FR nonyl acetate FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these iso amyl 3-methyl thiopropionate FL costus root absolute FL costus root resinoid FL ethyl 3-octenoate FL (Z)-3- hepten-1-ol FL/FR S-( methyl thio) hexanoate FL 1- phenethyl mercaptan FL/FR propyl nonanoate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR acidic acidic 2- ethyl butyric acid FL/FR alliaceous allyl propionate FL/FR dipropyl trisulfide FL tropical thiazole FL/FR citrus grapefruit mercaptan FL/FR coconut delta- octalactone FL/FR cooling manzanate (Givaudan) FL/FR fatty allyl octanoate FL/FR 2,4- decadien-1-ol FL/FR (E,E)-2,4- decadienal FL 2,4- nonadien-1-ol FL/FR (Z)-2- nonen-1-ol FL/FR (Z)-3- octen-1-ol FL/FR floral citronellyl acetate FL/FR hotrienol FL/FR tropical ionone FL/FR fruity allyl hexanoate FL/FR amyl butyrate FL/FR iso amyl propionate FL/FR benzyl isobutyrate FL/FR berry pentadienoate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl valerate FL/FR cinnamyl isovalerate FL/FR cyclohexyl carboxylic acid FL/FR diethyl sebacate FL/FR ethyl 2-octenoate FL/FR 3- mercaptohexyl hexanoate FL methoxymelonal FL/FR methyl (E)-3-nonenoate FL methyl 2-methyl valerate FL/FR methyl 3-nonenoate FL/FR (Z)-3- octen-1-yl propionate FL/FR iso propyl 2-methyl butyrate FL/FR iso propyl formate FL/FR propyl hexanoate FL/FR propyl isobutyrate FL/FR rose butanoate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical trithiane FL/FR green allyl butyrate FL/FR iso amyl isovalerate FL/FR cassis pentanone FL/FR (E,Z)-2,6- dodecadienal FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR heptanal dimethyl acetal 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 lactate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR 3- hexenal FL/FR hexyl 2-methyl butyrate FL/FR melon acetal FL/FR melon heptenal FL/FR melon nonenoate FL/FR methyl octine carbonate FL/FR (E,Z)-3,6- nonadien-1-ol FL/FR 3,6- nonadien-1-yl acetate FL/FR (E,Z)-3,6- nonadien-1-yl acetate FL/FR (E,E)-2,6- nonadienal FL (E)-2- nonen-1-ol FL/FR (Z)-6- nonen-1-yl acetate FL/FR (Z)-6- nonenal FL/FR beta- ocimene FL/FR (E,E)-2,4- octadienal FL (Z)-5- octen-1-ol FL/FR (Z)-5- octen-1-yl propionate FL/FR 1- penten-3-ol FL/FR terpinyl propionate FL/FR hay genet absolute FL/FR honey phenethyl acetate FL/FR jammy maltyl isobutyrate FL/FR juicy lychee mercaptan acetate FL/FR meaty 3- mercapto-2-butanone FL melon propyl 2,4-decadienoate FL/FR mushroom 3- octen-2-ol FL/FR musty 3- octanol FL/FR naphthyl 2'- hydroxyacetophenone FL/FR oily tetrahydrofurfuryl propionate FL orris costus root oil FL sulfurous buchu mercaptan FL/FR grapefruit menthane FL/FR mango thiol FL/FR methyl 2-(methyl thio) butyrate FL 1- methyl thio-2-propanone FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR terpenic gamma- terpinene FL/FR tropical 3- mercaptohexyl acetate FL/FR 3- mercaptohexyl butyrate FL passiflora acetate FL/FR 2- tropical oxathiane FL/FR vegetable 2- octen-4-one FL/FR waxy ethyl nonanoate FL/FR geranyl propionate FL/FR (Z,Z)-3,6- nonadien-1-ol FL/FR (Z)-6- nonen-1-ol FL/FR (Z)-3- nonen-1-ol FL/FR nonyl acetate FL/FR winey methyl nonanoate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms:   hexyl (3E)-2-methylpent-3-enoate   hexyl (E)-2-methyl-3(4)-pentenoate   hexyl (E)-2-methylpent-3-en-1-oate   hexyl (E)-2-methylpent-3-enoate   hexyl 2-methyl-3-pentenoate (high cis)   hexyl 2-methyl-3&4-pentenoate (mixture)   hexyl-2-methylpent-(3 and 4)-enoate (E)-2,3- methyl pentenoic acid hexyl ester 3- pentenoic acid, 2-methyl-, hexyl ester, (3E)- 3- pentenoic acid, 2-methyl-, hexyl ester, (E)-   Articles:   None found yet. 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Notes: None found