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 |
hexyl 2-methylpent-3-enoate
Notes:
Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 85508-08-3 HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) 97.0%
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. 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. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 08-42200 HEXYL-2-METHYL-3-PENTENOATE
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| Fragrance Demo Formulas | ||
| CAS Number: | 85508-08-3 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 287-432-5 | |
| Nikkaji Web: | J310.588A | |
| XlogP3-AA: | 4.00 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| NMR Predictor: | Predict (works with chrome 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) |
| 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:
| 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
Potential Uses:
| fruit | FR | |
| melon | FR | |
| tropical | FL |
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 |