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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): C3 HEXENYL C3 HEXENOATE
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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): 121 cis-3-HEXENYL CIS-3-HEXENOATE ≥96.0% (cis,cis), Kosher MSDS Can be used for 'natural' topnotes in fragrance compositions.
Can be used in watermelon, pear, vegetable, peach, olive and apple flavors. Can also be used for its 'natural' note.121NAT cis-3-HEXENYL CIS-3-HEXENOATE (NATURAL) ≥96.0% (cis,cis), Kosher MSDS
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Firmenich Inc. We Create We create perfumes and flavors for the World's most desirable brands. Firmenich is the largest privately-owned company in the perfume and flavor business. Swiss and family owned, we have created many of the world’s favorite perfumes for over 100 years and produced a number of the most well known flavors we enjoy each day. US Email: Fred Keifer US Voice: +1 609 452 1000 US Fax: +1 609 452 6077 Product(s): 992510 Williams Ester Excellent as a more longer lasting fruity pear version of Cis-Hexenol Ester.
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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): cis-3-HEXENYL CIS-3-HEXENOATE 95%
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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): 08-33400 cis-3-HEXENYL cis-3-HEXENOATE, Kosher 08-33401 cis-3-HEXENYL cis-3-HEXENOATE NATURAL, 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): W368903 cis-3-Hexenyl cis-3-hexenoate ≥94%, Kosher MSDS
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| Fragrance Demo Formulas | |
| [(Z)-hex-3-enyl] (Z)-hex-3-enoate (Click)
IUPAC Name: [(Z)-hex-3-enyl] (Z)-hex-3-enoate
Std.InChI: InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
InChI: InChI=1/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
Std.InChIKey: UZJQQWFHPLYECS-SFECMWDFSA-N
InChIKey: UZJQQWFHPLYECS-SFECMWDFBB
SMILES: CC\C=C/CCOC(=O)C\C=C/CC
| |
| CAS Number: | 61444-38-0 |
| % from: | 96.00% to 99.90% |
| ECHA EC Number: | 262-797-3 |
| FDA UNII: | KNS0IV43AT |
| MDL: | MFCD00036652 |
| FEMA Number: | 3689 |
| XlogP3-AA: | 3.30 (est) |
| Molecular Weight: | 196.28980000 |
| Formula: | C12 H20 O2 |
| NMR Predictor: | Predict |
| EFSA/JECFA Comments: | JECFA evaluated cis-3-hexenyl cis-3-hexenoate (CASrn as in Register). CASrn in Register refers to the (Z)/(Z)-isomer. Register name to be changed to Hex-3Z-enyl hex-3Z-enoate. |
| 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 |
| JECFA Food Flavoring: | 336 cis-3-hexenyl cis-3-hexenoate |
| Flavis Number: | 09.291 (Old) |
| EU SANCO Food Flavourings: | 09.291 hex-3Z-enyl hex-3Z-enoate |
| FEMA Number: | 3689 cis-3-hexenyl cis-3-hexenoate |
| FDA Mainterm: | CIS-3-HEXENYL CIS-3-HEXENOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86500 to 0.90200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.198 to 7.506 |
| Refractive Index: | 1.44700 to 1.45500 @ 20.00 °C. |
| Boiling Point: | 60.00 °C. @ 0.50 mm Hg |
| Boiling Point: | 112.00 °C. @ 12.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.012200 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w): | 4.298 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green tomato leaf pear melon metallic fennel tropical Luebke, William tgsc, (2009) |
| Odor sample from: | Bedoukian Research, Inc. |
| Taste Description: | green metallic green tomato |
| Substantivity: | 13 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Apiscent Labs |
| C3 HEXENYL C3 HEXENOATE
Odor: Green tomato leaf |
| Apple Flavor & Fragrance |
| cis-3-Hexenyl cis-3-hexenoate |
| Bedoukian Research |
| cis-3-HEXENYL CIS-3-HEXENOATE (NATURAL)
≥96.0% (cis,cis), Kosher Odor: Fresh, ethereal, meaty part of the pear, green, fruity |
| Bedoukian Research |
| cis-3-HEXENYL CIS-3-HEXENOATE
≥96.0% (cis,cis), Kosher Odor: A pear, melon, vegetable-like odor with natural connotations Use: Can be used for 'natural' topnotes in fragrance compositions. Flavor: green Can be used in watermelon, pear, vegetable, peach, olive and apple flavors. Can also be used for its 'natural' note. |
| CG Herbals |
| cis-3-Hexenyl Cis-3-hexenoate |
| Firmenich |
| Williams Ester
Odor: Fruity green note similar to a fresh Williams pear Use: Excellent as a more longer lasting fruity pear version
of Cis-Hexenol Ester. |
| Lluch Essence |
| cis-3-HEXENYL CIS-3-HEXENOATE 95%
Odor: TOMATO LEAF |
| Moellhausen |
| Cis-3-HEXENYL CIS-3-HEXENOATE
Nature-identical Odor: very natural, green-fruity; pear- and melon-like |
| Penta International |
| cis-3-HEXENYL cis-3-HEXENOATE NATURAL, Kosher |
| Penta International |
| cis-3-HEXENYL cis-3-HEXENOATE, Kosher |
| SAFC Global |
| cis-3-Hexenyl cis-3-hexenoate
≥94%, Kosher Odor: melon |
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: | |||
| Not determined | |||
| Dermal Toxicity: | |||
| Not determined | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.20 (μg/capita/day) | ||
| Recommendation for (Z)-3-hexen-1-yl (Z)-3-hexenoate usage levels up to: | |||
| 12.0000 % in the fragrance concentrate. | |||
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 page or 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 page or 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) page or 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) page or 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 page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 61444-38-0 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| [(Z)-hex-3-enyl] (Z)-hex-3-enoate | |
| Chemidplus: | 0061444380 |
References:
| [(Z)-hex-3-enyl] (Z)-hex-3-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 61444-38-0 |
| Pubchem (cid): | 6435882 |
| Pubchem (sid): | 135020950 |
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: | 2916.19.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| fruit | FR | |
| green | FR | |
| kiwi | FR | |
| mango | FR | |
| melon watermelon muskmelon cantaloupe | ||
| natural | ||
| pear | FR | |
| strawberry | FR | |
| tobacco | FR | |
| tomato | FL | |
| violet | FR |
Natural Occurrence in: note
| gardenia absolute GRIN Trop Picture | |
| tea black tea | |
| tea green tea |
Synonyms:
| (3Z)- | hex-3-en-1-yl (3Z)-hex-3-enoate | ||
| (Z)- | hex-3-enyl (Z)-hex-3-enoate | ||
| cis- | hex-3-enyl cis-hex-3-enoate | ||
| [(Z)- | hex-3-enyl] (Z)-hex-3-enoate | ||
| hex-3Z-enyl hex-3Z-enoate | |||
| (Z)-3- | hexen-1-yl (Z)-3-hexenoate | ||
| cis-3- | hexen-1-yl cis-3-hexenoate | ||
| (3Z)-3- | hexenoic acid (3Z)-3-hexenyl ester | ||
| (Z,Z)-3- | hexenoic acid 3-hexenyl ester | ||
| 3- | hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)- | ||
| 3- | hexenoic acid, (3Z)-3-hexenyl ester, (3Z)- | ||
| 3- | hexenoic acid, 3-hexenyl ester, (Z,Z)- | ||
| (Z)-3- | hexenyl (Z)-3-hexenoate | ||
| 3- | hexenyl (Z)-3-hexenoate, (Z)- | ||
| C3 | hexenyl C3 hexenoate | ||
| cis-3- | hexenyl cis-3-hexenoate | ||
| cis-3- | hexenyl cis-3-hexenoate (natural) | ||
| cis-3- | hexenyl cis-3-hexenoate natural | ||
| 3- | hexenyl cis-3-hexenoate, cis- | ||
| williams ester |
click on the picture(s) below to interact with the 3D model | |
| |
| Soluble in: | |
| alcohol | |
| water, 8.588 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |