hexyl 2-methyl-3-pentenoate
hexyl 2-methylpent-3-enoate

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  BOC Sciences

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  CODE144615 CODE144615
  Product(s):
  85508-08-3 HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) 97.0%

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  Penta International Corporation

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  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  CODE144615 CODE144615
  Product(s):
  08-42200 HEXYL-2-METHYL-3-PENTENOATE

Fragrance Demo Formulas CAS Number: 85508-08-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 287-432-5 FDA UNII: Search 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) 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 FEMA Number: 3693 hexyl 2-methyl-3-pentenoate 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 to pale yellow clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.86400 to 0.88400 @ 25.00 °C. Pounds per Gallon - (est).: 7.189 to 7.356 Refractive Index: 1.42400 to 1.44400 @ 20.00 °C. Boiling Point: 80.00 °C. @ 10.00 mm Hg Boiling Point: 247.00 to 248.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.026000 mmHg @ 25.00 °C. (est) Vapor Density: >1 ( Air = 1 ) Flash Point: 214.00 °F. TCC ( 101.11 °C. ) logP (o/w): 4.532 (est) Shelf Life: 60.00 month(s) or longer if stored properly. Soluble in:   alcohol   water, 6.351 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: tropical Odor Strength:medium Substantivity:19 hour(s) at 100.00 % fruity tropical sweet waxy spicy guaiacwood green cantaloupe rindy Odor Description:at 100.00 %. fruity tropical sweet waxy spicy guaiacwood green cantaloupe rind Luebke, William tgsc, (2009) Odor sample from: Bedoukian Research, Inc. Flavor Type: fruity fruity tropical pear green melon rindy spicy Taste Description: fruity tropical pear green melon rindy spicy Luebke, William tgsc, (2009) Odor and/or flavor descriptions from others (if found). Bedoukian Research HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) ≥97.0%, Kosher 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:fruity A good base for tropicals and a good modifier for melon, grape, apple and pineapple flavors.   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) 97.0% Parchem hexyl 2-methyl-3-pentenoate Penta International HEXYL-2-METHYL-3-PENTENOATE   Safety Information: Preferred SDS: View European information : Most important hazard(s): None - None found. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.   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 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... EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):85508-08-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6366072 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 hexyl 2-methylpent-3-enoate Chemidplus:0085508083   References:   hexyl 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): HMDB40158 FooDB: FDB019864 Export Tariff Code: 2916.19.6000 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these satinaldehyde FL/FR acidic acidic 2- ethyl butyric acid FL/FR aldehydic decanal (aldehyde C-10) FL/FR balsamic iso amyl benzoate FL/FR linalyl cinnamate FL/FR iso propyl cinnamate FL/FR caramellic maltyl isobutyrate FL/FR strawberry furanone acetate 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 iso valeraldehyde propylene glycol acetal FL/FR fatty allyl octanoate FL/FR 2,4- decadien-1-ol FL/FR (E,Z)-2,6- dodecadienal FL/FR 5- methyl-5-hexen-2-one FL/FR 2- nonenal FL/FR (Z)-3- octen-1-ol FL/FR fermented propyl nonanoate FL/FR floral acetal 318 FR para- anisyl butyrate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR cassis specialty FR citronellyl acetate FL/FR black currant bud concrete FL/FR ethyl linalyl acetate FR iso eugenyl ethyl acetal FR geranyl acetone FL/FR (E)- geranyl acetone FL/FR geranyl propionate FL/FR alpha- hexyl cinnamaldehyde FL/FR hydroxycitronellal FL/FR hydroxycitronellal diethyl acetal FL/FR alpha- ionone FL/FR jasmin absolute (from pommade) FL/FR lilac pentanol FL/FR methoxycitronellal FR methoxymelonal FL/FR muguet carbaldehyde FR neryl acetate FL/FR beta- ocimene FL/FR phenethyl acetate FL/FR rhodinol FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose absolute (rosa damascena) turkey FL/FR rose butanoate FL/FR rose oil (rosa damascena) turkey FL/FR styralyl isobutyrate FL/FR styralyl propionate FL/FR fruity allyl butyrate FL/FR allyl cyclohexyl propionate FL/FR allyl hexanoate FL/FR allyl propionate FL/FR amyl butyrate FL/FR iso amyl isovalerate FL/FR iso amyl propionate FL/FR benzyl butyrate FL/FR berry pentadienoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl valerate FL/FR cinnamyl isobutyrate FL/FR cyclohexyl carboxylic acid FL/FR diethyl sebacate FL/FR ethyl 2-octenoate FL/FR heliotropyl isobutyrate FL/FR (E)-2- hepten-1-yl acetate FL/FR heptyl butyrate FL/FR (Z)-3- hexen-1-yl 2-methyl-2-pentenoate FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR kiwi specialty FR lychee fragrance FR 3- mercaptohexyl acetate FL/FR methyl 2-methyl butyrate FL/FR methyl 2-methyl valerate FL/FR methyl 3-nonenoate FL/FR methyl cyclohexyl acetate FR methyl nonanoate FL/FR neocaspirene FL/FR (Z)-3- octen-1-yl propionate FL/FR passion fruit fragrance 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 galbanum specialty FR green heptenal FR green note propionate FL/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 isovalerate 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 hexyl hexanoate FL/FR manzanate (Givaudan) FL/FR marigold pot absolute 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 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)-2- nonen-1-ol FL/FR (Z)-2- nonen-1-ol FL/FR (Z)-5- octen-1-ol FL/FR (Z)-5- octen-1-yl propionate FL/FR 3- octyl formate FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR 3- phenyl propionaldehyde FL/FR terpinyl propionate FL/FR violet leaf absolute FL/FR hay para- methyl phenoxyacetaldehyde FR herbal barosma betulina leaf oil FL/FR (E)-6- methyl-3-hepten-2-one FL/FR 2- pentyl acetate FL/FR viridiflorol FL/FR honey methyl phenyl acetate 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 myrcene FR sulfurous buchu mercaptan FL/FR cassis pentanone FL/FR grapefruit menthane FL/FR lychee mercaptan acetate FL/FR mango thiol FL/FR 4- methoxy-2-methyl butane thiol FL/FR passiflora acetate FL/FR 1- phenethyl mercaptan FL/FR S- tropical 2-thiobutyrate FL/FR 4- tropical oxathiane FL/FR terpenic gamma- terpinene FL/FR tropical cis- galbanum oxathiane FL/FR genet absolute FL/FR hotrienol FL/FR 3- nonen-4-olide FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR pina colada fragrance FR psidium guajava fruit extract FL/FR triflaige A (ZEON) FR tropical 3-thiobutyrate FL/FR 2- tropical oxathiane FL/FR waxy ethyl nonanoate FL/FR heptyl octanoate FL/FR 2,4- nonadien-1-ol FL/FR (Z)-3- nonen-1-ol FL/FR nonyl acetate FL/FR woody guaiene 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 S-(2,5- dimethyl-3-furyl) ethane thioate FL ethyl 2-(methyl thio) acetate FL ethyl 3-octenoate FL (Z)-3- hepten-1-ol FL/FR (E)-2- hepten-1-yl acetate FL/FR methyl 2-(methyl thio) acetate FL S-( methyl thio) hexanoate FL (E)-6- methyl-3-hepten-2-one FL/FR neocaspirene FL/FR 3- nonen-4-olide FL/FR 1- phenethyl mercaptan FL/FR S- prenyl thioisobutyrate FL S- prenyl thioisovalerate FL propyl nonanoate FL/FR sorbyl propionate FL styralyl isobutyrate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR allyl thiohexanoate FL acidic acidic 2- ethyl butyric acid FL/FR alliaceous allyl propionate FL/FR dipropyl trisulfide FL tropical thiazole FL/FR anisic para- anisyl butyrate FL/FR balsamic iso propyl cinnamate FL/FR caramellic strawberry furanone acetate FL/FR cheesy methyl ketones FL citrus grapefruit mercaptan FL/FR styralyl propionate FL/FR coconut delta- octalactone FL/FR cooling manzanate (Givaudan) FL/FR creamy triacetin FL dairy 2- pentyl acetate FL/FR ethereal 4- hexen-3-one FL 5- methyl-5-hexen-2-one 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 2- nonenal FL/FR (Z)-3- octen-1-ol FL/FR floral citronellyl acetate FL/FR (E)- geranyl acetone FL/FR geranyl acetone FL/FR hotrienol FL/FR alpha- ionone FL/FR jasmin absolute (from pommade) FL/FR methyl phenyl acetate FL/FR neryl acetate FL/FR rhodinol FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose absolute (rosa damascena) turkey FL/FR rose oil (rosa damascena) turkey FL/FR satinaldehyde FL/FR tropical ionone FL/FR fruity allyl cyclohexyl propionate FL/FR allyl hexanoate FL/FR iso amyl benzoate FL/FR amyl butyrate FL/FR iso amyl propionate FL/FR benzyl butyrate FL/FR benzyl isobutyrate FL/FR berry pentadienoate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl valerate FL/FR cinnamyl isobutyrate FL/FR cinnamyl isovalerate FL/FR black currant bud concrete FL/FR cyclohexyl carboxylic acid FL/FR diethyl sebacate FL/FR ethyl (E)-2-octenoate FL ethyl 2-octenoate FL/FR tropical fruit flavor FL heliotropyl isobutyrate FL/FR 2,4- hexadien-1-ol FL (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl hexanoate FL/FR kiwi flavor FL lilac pentanol FL/FR linalyl cinnamate FL/FR lychee flavor FL 2- mercapto-4-heptanol FL 3- mercaptohexyl hexanoate FL methoxymelonal FL/FR methyl (E)-3-nonenoate FL methyl 2-methyl butyrate FL/FR methyl 2-methyl valerate FL/FR methyl 3-nonenoate FL/FR (Z)-3- octen-1-yl propionate FL/FR papaya guava flavor FL passion fruit distillates FL 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 4- tropical oxathiane FL/FR tropical trithiane FL/FR iso valeraldehyde propylene glycol acetal 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 cis- galbanum oxathiane FL/FR green note propionate FL/FR heptanal dimethyl acetal FL/FR heptyl butyrate 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 isovalerate 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 (E)-tiglate FL/FR hexyl 2-methyl butyrate FL/FR marigold pot absolute FL/FR melon acetal FL/FR melon heptenal FL/FR melon nonenoate FL/FR methyl octine carbonate FL/FR 3,6- nonadien-1-ol 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 phenoxyethyl isobutyrate FL/FR 3- phenyl propionaldehyde FL/FR terpinyl propionate FL/FR violet leaf absolute FL/FR hay genet absolute FL/FR herbal barosma betulina leaf oil FL/FR buchu oil fractions FL honey phenethyl acetate FL/FR jammy maltyl isobutyrate FL/FR juicy lychee mercaptan acetate FL/FR meaty 3- mercapto-2-butanone FL melon hydroxycitronellal diethyl acetal FL/FR 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 4- methoxy-2-methyl butane 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 anacardium occidentale fruit puree FL 3- mercaptohexyl acetate FL/FR 3- mercaptohexyl butyrate FL passiflora acetate FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR psidium guajava fruit FL psidium guajava fruit extract FL/FR 2- tropical oxathiane FL/FR vegetable 2- octen-4-one FL/FR waxy decanal (aldehyde C-10) FL/FR ethyl nonanoate FL/FR geranyl propionate FL/FR heptyl octanoate FL/FR alpha- hexyl cinnamaldehyde FL/FR hydroxycitronellal FL/FR (Z,Z)-3,6- nonadien-1-ol FL/FR (Z)-3- nonen-1-ol FL/FR (Z)-6- nonen-1-ol FL/FR nonyl acetate FL/FR 3- octyl formate FL/FR winey methyl nonanoate FL/FR woody guaiene FL/FR   Potential Uses: FR fruit FR melon FL tropical   Occurrence (nature, food, other):note   not found in nature   Synonyms:   hexyl 2-methyl pent-3-en-1-oate   hexyl 2-methyl-3-pentenoate (high cis)   hexyl 2-methylpent-3-en-1-oate   hexyl 2-methylpent-3-enoate   hexyl-2-methyl-3-pentenoate 2,3&4- methyl pentenoic acid hexyl ester   Articles: US Patents:3,931,293 - Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates

Notes: Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer