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Apiscent Labs, LLC Delivery of Quality Custom manufacturer and international supplier of fine ingredients. We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success. Email: Info Email: Carl Sheeley Email: Customer Service Voice: +1 (414) 744 3993 Fax: +1 (414) 744 7111 Product(s): T2 HEXENYL HEXANOATE
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Bedoukian Research, Inc. Constantly Improving Working closely with our customers to meet their requirements. Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Products List: View Product(s): 143 trans-2-HEXENYL CAPROATE (HEXANOATE) ≥93.0%, Kosher MSDS Can be used as a modifier for galbanum and other green topnotes.
A good blender to use to balance out the harsh sweet notes in pineapple flavors.
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M&U International LLC Steady supply & demand Meeting customers increasing demands at home as well as abroad. M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers. We warmly welcome your inquiries, come witness our solemn commitment for yourself. Email: Sales US Email: Sales Voice: +86-21-32515501 60762991 60762992 Fax: +86-21-32515502 64204960 US Voice: 908-359-9000 US Fax: 908-359-9002 Product(s): A0208 T2-HEXENYL HEXANOATE, Kosher
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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): 08-32200 trans-2-HEXENYL CAPROATE, Kosher
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| [(E)-hex-2-enyl] hexanoate (Click)
IUPAC Name: [(E)-hex-2-enyl] hexanoate
Std.InChI: InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
InChI: InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
Std.InChIKey: UQPLEMTXCSYMEK-VQHVLOKHSA-N
InChIKey: UQPLEMTXCSYMEK-VQHVLOKHBN
SMILES: CCCCCC(=O)OC/C=C/CCC
| |
| CAS Number: | 53398-86-0 |
| ECHA EC Number: | 258-519-5 |
| FDA UNII: | CF5RIO6PQE |
| MDL: | MFCD00036551 |
| FEMA Number: | 3983 |
| XlogP3-AA: | 3.90 (est) |
| Molecular Weight: | 198.30574000 |
| Formula: | C12 H22 O2 |
| NMR Predictor: | Predict |
| Also(can) Contains: | hexanoic acid 2.00% to 3.00% |
| 2-hexen-1-ol 2.00% to 3.00% | |
| EFSA/JECFA Comments: | At least 93%; secondary components 2-3% hexanoic acid and 2-3% 2-hexenol. (EFSA) |
| 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: | 1381 (E)-2-hexenyl hexanoate |
| Flavis Number: | 09.398 (Old) |
| EU SANCO Food Flavourings: | 09.398 hex-(2E)-enyl hexanoate |
| FEMA Number: | 3983 (E)-2-hexenyl hexanoate |
| FDA Mainterm: | 2-HEXENYL HEXANOATE, TRANS- |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 93.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87300 to 0.88000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.264 to 7.322 |
| Refractive Index: | 1.43300 to 1.44000 @ 20.00 °C. |
| Boiling Point: | 125.00 °C. @ 25.00 mm Hg |
| Boiling Point: | 90.00 °C. @ 4.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.016000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 217.00 °F. TCC ( 102.78 °C. ) |
| logP (o/w): | 4.655 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green natural cognac herbal waxy clean Luebke, William tgsc, (2009) |
| Odor sample from: | Apiscent Labs, LLC |
| Substantivity: | 21 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Apiscent Labs |
| T2 HEXENYL HEXANOATE
Odor: Sweet, diffusive, fruity, green |
| Bedoukian Research |
| trans-2-HEXENYL CAPROATE (HEXANOATE)
≥93.0%, Kosher Odor: Green, fruity, cheesy Use: Can be used as a modifier for galbanum and other green topnotes. Flavor: green A good blender to use to balance out the harsh sweet notes in pineapple flavors. |
| Inoue Perfumery |
| TRANS-2-HEXENYL HEXANOATE |
| M&U International |
| T2-HEXENYL HEXANOATE, Kosher |
| Penta International |
| trans-2-HEXENYL CAPROATE, Kosher |
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. | |||
| Human Experience: | |||
| 2% in petrolatum produced no irritation or sensitization in humans. | |||
| Oral/Parenteral Toxicity: | |||
|
oral-rat LD50 > 5000 mg/kg Apiscent Labs, LLC | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg Apiscent Labs, LLC | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.09 (μg/capita/day) | ||
| Structure Class: | I | ||
| Recommendation for (E)-2-hexen-1-yl hexanoate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| 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 on the "Resources" link. | |||
| publication number: 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.50000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | - | |
| 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 |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 53398-86-0 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] hexanoate | |
| Chemidplus: | 0053398860 |
References:
| [(E)-hex-2-enyl] hexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 53398-86-0 |
| Pubchem (cid): | 5352973 |
| Pubchem (sid): | 135061337 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| Export Tariff Code: | 2915.90.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| fruit | FR | |
| galbanum | FL/FR | |
| green | FR |
Natural Occurrence in: note
| plumcot | |
| tea green tea with jasmin PbMd | |
| witch hazel leaf oil @ 0.03% Data GC GRIN Trop Picture |
Synonyms:
| hex-(2E)-enyl hexanoate | |||
| (2E)- | hex-2-en-1-yl hexanoate | ||
| (E)- | hex-2-enyl hexanoate | ||
| [(E)- | hex-2-enyl] hexanoate | ||
| hexanoic acid (2E)-2-hexenyl ester | |||
| hexanoic acid (E)-hex-2-en-1-yl ester | |||
| (E)- | hexanoic acid 2-hexenyl ester | ||
| hexanoic acid, (2E)-2-hexen-1-yl ester | |||
| hexanoic acid, (2E)-2-hexenyl ester | |||
| hexanoic acid, 2-hexenyl ester, (E)- | |||
| (E)-2- | hexen-1-yl caproate | ||
| 2- | hexen-1-yl caproate | ||
| trans-2- | hexen-1-yl caproate | ||
| (E)-2- | hexen-1-yl hexanoate | ||
| trans-2- | hexen-1-yl hexanoate | ||
| (E)-2- | hexenyl caproate | ||
| trans-2- | hexenyl caproate | ||
| trans-2- | hexenyl caproate (hexanoate) | ||
| (E)-2- | hexenyl hexanoate | ||
| T2 | hexenyl hexanoate | ||
| trans-2- | hexenyl hexanoate |
