Articles:
| None found yet. Try the PubMed Search. |
hexyl 2-methyl-3&4-pentenoate (mixture)
Notes:
None found
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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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): 08-42225 HEXYL-2-METHYL-3-PENTENOATE
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| 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 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 CSA |
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: | |
|
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
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)- |