Articles:
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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 BUTYRATE
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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): 142 trans-2-HEXENYL BUTYRATE ≥94.0%, Kosher MSDS Adds fruity (berry) notes to fragrances.
Strawberry, tea, fruit, green, mint flavors.
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Indukern, S.A. F&F Ingredients Division Commitment to quality Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients. Indukern F&F focuses in particular on the service it offers its clients in terms of quality, speed and direct consultancy with more than 1600 different products in stock ready for prompt shipment: Aromachemicals, Essential Oils and Natural Isolates. Email: Info Email: Laura Iglesias (Spain) Email: Luciana Soares (Brazil) Email: Jose Pablo Sanchez Bejos (Mexico) Email: Monica Taborda (Colombia) Voice: +34 93 506 91 00 Fax: +34 93 506 91 95 Product(s): TRANS-2-HEXENYL BUTYRATE
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Product(s): trans-2-HEXENYL BUTYRATE
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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): 08-30800 trans-2-HEXENYL BUTYRATE, Kosher 08-31761 trans-2-HEXENYL BUTYRATE NATURAL 1% IN ETHYL ALCOHOL, Kosher 08-31765 trans-2-HEXENYL BUTYRATE NATURAL 5% IN ETHYL ALCOHOL, Kosher 08-31750 trans-2-HEXENYL BUTYRATE, Kosher
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SAFC Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Product(s): W392618 trans-2-Hexenyl butyrate Kosher MSDS
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| [(E)-hex-2-enyl] butanoate (Click)
IUPAC Name: [(E)-hex-2-enyl] butanoate
Std.InChI: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChI: InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
Std.InChIKey: PCGACKLJNBBQGM-VOTSOKGWSA-N
InChIKey: PCGACKLJNBBQGM-VOTSOKGWBM
SMILES: CCC/C=C/COC(=O)CCC
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| CAS Number: | 53398-83-7 |
| ECHA EC Number: | 258-515-3 |
| FDA UNII: | Z60BMY964J |
| MDL: | MFCD00036546 |
| FEMA Number: | 3926 |
| CoE Number: | 9396 |
| XlogP3-AA: | 2.80 (est) |
| Molecular Weight: | 170.25186000 |
| Formula: | C10 H18 O2 |
| NMR Predictor: | Predict |
| 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: | 1375 trans-2-hexenyl butyrate |
| Flavis Number: | 09.396 (Old) |
| EU SANCO Food Flavourings: | 09.396 (E)-hex-2-enyl butyrate |
| FEMA Number: | 3926 (E)-2-hexenyl butyrate |
| FDA Mainterm: | (E)-2-HEXENYL BUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87800 to 0.88800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.306 to 7.389 |
| Refractive Index: | 1.42800 to 1.43500 @ 20.00 °C. |
| Boiling Point: | 191.00 to 193.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.137000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 162.00 °F. TCC ( 72.22 °C. ) |
| logP (o/w): | 3.636 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green orchid fruity apple grassy banana |
| Odor Description: at 1.00 %. | Green, ripe fruity with apple and fermented banana notes and a fatty nuance, becoming green grassy on dryout Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Taste Description: at 1.00 - 10.00 ppm. | Green, oily, fresh fruity with a full mouth feel Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
Safety Information:
| European information : | |||
| Most important hazard(s): | |||
| Xi - Irritant | |||
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |||
| 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 Mosciano, Gerard P&F 25, No. 5, 72, (2000) | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg Mosciano, Gerard P&F 25, No. 5, 72, (2000) | |||
| 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): | 4.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| Recommendation for (E)-2-hexen-1-yl butyrate 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: 19. Update in publication number(s): 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 7.20000 | 40.00000 | |
| beverages(nonalcoholic): | 5.00000 | 10.00000 | |
| beverages(alcoholic): | 5.00000 | 10.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 20.00000 | 50.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 10.00000 | 20.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 20.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 5.00000 | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 20.00000 | |
| imitation dairy: | 5.00000 | 5.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 0.50000 | 1.00000 | |
| meat products: | - | - | |
| milk products: | 5.00000 | 20.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 10.00000 | 20.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.50000 | 1.00000 | |
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): | |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 53398-83-7 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] butanoate | |
| Chemidplus: | 0053398837 |
References:
| [(E)-hex-2-enyl] butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 53398-83-7 |
| Pubchem (cid): | 5352461 |
| Pubchem (sid): | 135061335 |
| Pherobase Floral: | View |
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: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| allyl cyclohexyl acetate | FL/FR | |
| allyl heptanoate | FL/FR | |
| allyl propionate | FL/FR | |
| iso | amyl isovalerate | FL/FR |
| iso | amyl propionate | FL/FR |
| amyl valerate | FL/FR | |
| iso | amyl valerate | FL/FR |
| dihydroactinidolide | FL/FR | |
| ethyl methyl mercaptopropionate | FL/FR | |
| furfuryl isovalerate | FL | |
| (E)-2- | hexen-1-ol | FL/FR |
| pineapple hydroxyhexanoate | FL/FR | |
| iso | propyl butyrate | FL/FR |
| propyl heptanoate | FL/FR | |
| propyl isobutyrate | FL/FR |
Potential Uses:
| apple | FR | |
| apricot | FR | |
| banana | FR | |
| berry | FR | |
| cheese | FL | |
| fruit | FR | |
| green | FR | |
| herbal | FR | |
| melon | FR | |
| mint | FR | |
| peach | FR | |
| pineapple | FR | |
| strawberry | FR | |
| tea black | FL |
Natural Occurrence in: note
| chermoya fruit GRIN Trop Picture | |
| chicken fat GRIN Trop Picture | |
| cranberry high bush cranberry | |
| grape cherimoya grape GRIN Trop Picture | |
| lovage root GRIN Trop Picture | |
| mint | |
| plum | |
| plumcot | |
| strawberry GRIN Trop Picture | |
| tea black tea | |
| witch hazel leaf oil @ 0.14% Data GC GRIN Trop Picture |
Synonyms:
| butanoic acid (2E)-2-hexen-1-yl ester | |||
| (E)- | butanoic acid 2-hexen-1-yl ester | ||
| butanoic acid, (2E)-2-hexen-1-yl ester | |||
| butanoic acid, (2E)-2-hexenyl ester | |||
| butanoic acid, 2-hexenyl ester, (E)- | |||
| butyric acid trans-2-hexenyl ester | |||
| butyric acid trans-hex-2-en-1-yl ester | |||
| (2E)- | hex-2-en-1-yl butanoate | ||
| (2E)- | hex-2-en-1-yl butyrate | ||
| (E)- | hex-2-enyl butanoate | ||
| (E)- | hex-2-enyl butyrate | ||
| [(E)- | hex-2-enyl] butanoate | ||
| (E)-2- | hexen-1-yl butanoate | ||
| trans-2- | hexen-1-yl butanoate | ||
| (E)-2- | hexen-1-yl butyrate | ||
| trans-2- | hexen-1-yl butyrate | ||
| (E)-2- | hexenyl butyrate | ||
| T2 | hexenyl butyrate | ||
| trans-2- | hexenyl butyrate | ||
| trans-2- | hexenyl butyrate natural 1% in ethyl alcohol | ||
| trans-2- | hexenyl butyrate natural 5% in ethyl alcohol |
click on the picture(s) below to interact with the 3D model | |
| |
| Soluble in: | |
| alcohol | |
| water, 52.1 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |