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trans-2-hexenyl isovalerate
Notes:
Flavouring ingredient
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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): 68698-59-9 trans-2-Hexenyl Isovalerate
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CJ Latta & Associates, LLC Extensive Line Aromatic Chemicals and Organic Acids. CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients. Email: Info US Email: Chip Latta Email: Sales US Email: Chip Latta Voice: (630) 240-8079 Product(s): TRANS-2-HEXENYL ISOVALERATE
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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): 08-33850 TRANS-2-HEXENYL ISOVALERATE
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W01736 trans-2-hexenyl isobutyrate
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): I0317 trans-2-Hexenyl Isovalerate >90.0%(GC)
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| CAS Number: | 68698-59-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 272-088-0 | |
| FDA UNII: | 8J63B79Z9Z | |
| Nikkaji Web: | J183.055D | |
| MDL: | MFCD00036544 | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 184.27880000 | |
| Formula: | C11 H20 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | NMR 95% (2E)-isomer | |
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: | 1377 trans-2-hexenyl isovalerate |
| FEMA Number: | 3930 trans-2-hexenyl isovalerate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 68698-59-9 ; (E)-2-HEXENYL ISOVALERATE |
Physical Properties:
Organoleptic Properties:
| Odor Type: green | |
| green waxy apple pear banana grape | |
| Odor Description: at 10.00 % in dipropylene glycol. | green waxy apple pear banana grape |
| green fresh waxy apple pear banana cortex fusel grape vegetable | |
| Odor Description: at 1.00 %. | Green, fresh waxy apple, pear and banana-like with nuances of viney fusel grape and vegetables Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Flavor Type: green | |
| green apple fruity oily waxy fruity | |
| Taste Description: at 1.00 - 5.00 ppm. | Green apple, fruity with an oily waxy nuance and a lingering fruity aftertaste Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| trans-2-HEXEN-1-YL ISOVALERATE | |
| Odor Description: | Fruity, buttery odor. Not as sweet as other hexenyl esters. Used in specialty fragrances. |
| Taste Description: | fruity Can be used to balance the overly-sweet notes of the other hexenyl esters. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| trans-2-Hexenyl Isovalerate |
| CJ Latta & Associates |
| TRANS-2-HEXENYL ISOVALERATE |
| Parchem |
| (E)-2-hexen-1-yl isovalerate |
| Penta International |
| TRANS-2-HEXENYL ISOVALERATE |
| Synerzine |
| trans-2-hexenyl isobutyrate |
| TCI AMERICA |
| For experimental / research use only. |
| trans-2-Hexenyl Isovalerate >90.0%(GC) |
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: | |
|
oral-rat LD50 > 5000 mg/kg Can be used to balance the overly-sweet notes of the other hexenyl esters. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Can be used to balance the overly-sweet notes of the other hexenyl esters. | |
| 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 (E)-2-hexen-1-yl isovalerate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.40 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1700 (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: 19 | |||
| Click here to view publication 19 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 7.00000 | 11.00000 | |
| beverages(nonalcoholic): | 2.50000 | 4.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 4.00000 | 7.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 5.00000 | 7.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 8.00000 | 9.00000 | |
| 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: | 6.00000 | 9.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 5.70000 | 12.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 1.50000 | 14.25000 | |
| Edible ices, including sherbet and sorbet (03.0): | - | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 5.00000 | 5.03000 | |
| Confectionery (05.0): | 5.50000 | 14.46000 | |
| Chewing gum (05.0): | 6.02000 | 20.87000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 4.80000 | 11.55000 | |
| Bakery wares (07.0): | 5.00000 | 17.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.90000 | 2.98000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.43000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 2.50000 | 4.50000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf | |
| 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): | |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 68698-59-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5352460 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] 3-methylbutanoate | |
| Chemidplus: | 0068698599 |
References:
| [(E)-hex-2-enyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68698-59-9 |
| Pubchem (cid): | 5352460 |
| Pubchem (sid): | 135067449 |
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): | HMDB38274 |
| FooDB: | FDB017572 |
| Export Tariff Code: | 2915.90.5050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| banana | FR | |
| berry | FR | |
| blueberry | FR | |
| butter | FR | |
| fruit | FR | |
| grape | FR | |
| guava | FR | |
| kiwi | FR | |
| pear | FR | |
| plum | FR | |
| strawberry | FR | |
| tropical | FL | |
| wine | FR |
Occurrence (nature, food, other): note
| lettuce lamb's lettuce Search Trop Picture | |
| mint oils Search Trop Picture | |
| pepper tabasco pepper Search PMC Picture |
Synonyms:
| butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester | |
| butanoic acid, 3-methyl-, (2E)-2-hexenyl ester | |
| butanoic acid, 3-methyl-, 2-hexenyl ester, (E)- | |
| butyric acid, 3-methyl-, trans-hex-2-en-1-yl ester | |
| (2E)- | hex-2-en-1-yl 3-methylbutanoate |
| (E)- | hex-2-enyl 3-methyl butanoate |
| (E)- | hex-2-enyl isovalerate |
| [(E)- | hex-2-enyl] 3-methylbutanoate |
| (E)-2- | hexen-1-yl 3-methyl butanoate |
| (E)-2- | hexen-1-yl isopentanoate |
| (E)-2- | hexen-1-yl isovalerate |
| trans-2- | hexen-1-yl isovalerate |
| (E)-2- | hexen-1-yl-3-methyl butanoate |
| (2E)-2- | hexenyl 3-methylbutanoate |
| (2E)- | hexenyl isovalerate |
| (E)-2- | hexenyl isovalerate |
| trans-2- | hexenyl isovalerate |
| trans-2- | hexenyl isovalerate (natural) |
| 3- | methyl butanoic acid (2E)-2-hexen-1-yl ester |
| (E)-3- | methyl butanoic acid 2-hexen-1-yl ester |