Articles:
| None found yet. Try the PubMed Search. |
-
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): 114 cis-3-HEXENYL PYRUVATE ≥97.0% (cis), Kosher MSDS Adds a warm, spicy note to heavier fragrances.
Used mostly in imitation celery flavor, but can also be used in caramel, raisin, prune flavors.
-
-
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): 08-35400 cis-3-HEXENYL PYRUVATE, Kosher
-
| [(Z)-hex-3-enyl] 2-oxopropanoate (Click)
IUPAC Name: [(Z)-hex-3-enyl] 2-oxopropanoate
Std.InChI: InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
InChI: InChI=1/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
Std.InChIKey: LKNXTZXOBHAYSR-PLNGDYQASA-N
InChIKey: LKNXTZXOBHAYSR-PLNGDYQABJ
SMILES: CC/C=C\CCOC(=O)C(=O)C
| |
| CAS Number: | 68133-76-6 |
| % from: | 97.00% to 99.90% |
| ECHA EC Number: | 268-703-7 |
| FDA UNII: | 74TLP5254U |
| MDL: | MFCD00036527 |
| FEMA Number: | 3934 |
| CoE Number: | 10684 |
| XlogP3-AA: | 1.80 (est) |
| Molecular Weight: | 170.20818000 |
| Formula: | C9 H14 O3 |
| NMR Predictor: | Predict |
| Also(can) Contains: | (E)-3-hexen-1-yl pyruvate 0.10% to 3.00% |
| EFSA/JECFA Comments: | Register name to be changed to Hex-(3Z)-enyl 2-oxopropionate (EFFA, 2010a). |
| 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: | 1846 (Z)-3-hexenyl 2-oxopropionate |
| Flavis Number: | 09.565 (Old) |
| EU SANCO Food Flavourings: | 09.565 (3Z)-hexenyl 2-oxopropanoate |
| FEMA Number: | 3934 (Z)-3-hexenyl 2-oxopropionate |
| FDA Mainterm: | (Z)-3-HEXENYL PYRUVATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98200 to 0.99000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.171 to 8.238 |
| Refractive Index: | 1.43700 to 1.44500 @ 20.00 °C. |
| Boiling Point: | 75.00 to 77.00 °C. @ 5.00 mm Hg |
| Boiling Point: | 65.00 °C. @ 0.10 mm Hg |
| Vapor Pressure: | 0.054000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 200.00 °F. TCC ( 93.33 °C. ) |
| logP (o/w): | 1.848 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green oily melon rind banana peel cucumber skin tea Luebke, William tgsc, (2009) |
| Odor sample from: | Bedoukian Research, Inc. |
| Odor Description: at 1.00 %. | Green, oily and fatty with a cucumber vegetative and fruity melon rind like nuance and a slight hint of a floral green tea Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Taste Description: at 1.00 - 15.00 ppm. | Oily green cucumber vegetative and fruit like with nuances of apple, berry and cherry as well as watermelon Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Substantivity: | 17 hour(s) at 100.00 % |
Cosmetic Information:
| None found |
Suppliers:
| Bedoukian Research |
| cis-3-HEXENYL PYRUVATE
≥97.0% (cis), Kosher Odor: Green, spicy, caramellic Use: Adds a warm, spicy note to heavier fragrances. Flavor: oily green Used mostly in imitation celery flavor, but can also be used in caramel, raisin, prune flavors. |
| CTC Organics |
| cis-3-hexenyl pyruvate |
| Parchem |
| (Z)-3-hexen-1-yl pyruvate |
| Penta International |
| cis-3-HEXENYL PYRUVATE, 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. | |||
| 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): | 0.74 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Recommendation for (Z)-3-hexen-1-yl pyruvate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for (Z)-3-hexen-1-yl pyruvate flavor usage levels up to: | |||
| 15.0000 ppm in the finished product. | |||
| 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): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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): | |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) page or pdf | |
| Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) page or pdf | |
| Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009) page or pdf | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 page or pdf | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 68133-76-6 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(Z)-hex-3-enyl] 2-oxopropanoate | |
| Chemidplus: | 0068133766 |
References:
| [(Z)-hex-3-enyl] 2-oxopropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68133-76-6 |
| Pubchem (cid): | 5363291 |
| Pubchem (sid): | 135065866 |
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: | 2918.30.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| caramel | FL | |
| celery | FL/FR | |
| cherry | FR | |
| cucumber | FR | |
| grape | FR | |
| green | FR | |
| herbal | FR | |
| melon watermelon muskmelon cantaloupe | ||
| pea green pea | ||
| prune | FR | |
| raisin | FR |
Natural Occurrence in: note
| celery leaf GRIN Trop Picture |
Synonyms:
| (3Z)- | hex-3-en-1-yl 2-oxopropanoate | ||
| (Z)- | hex-3-enyl pyruvate | ||
| [(Z)- | hex-3-enyl] 2-oxopropanoate | ||
| (Z)-3- | hexen-1-yl 2-oxopropionate | ||
| cis-3- | hexen-1-yl pyruvate | ||
| (3Z)- | hexenyl 2-oxopropanoate | ||
| (Z)-3- | hexenyl 2-oxopropionate | ||
| (Z)-3- | hexenyl pyruvate | ||
| cis-3- | hexenyl pyruvate | ||
| 2-oxo- | propanoic acid (3Z)-3-hexen-1-yl ester | ||
| (Z)-2-oxo- | propanoic acid 3-hexen-1-yl ester | ||
| propanoic acid, 2-oxo-, (3Z)-3-hexen-1-yl ester | |||
| propanoic acid, 2-oxo-, (3Z)-3-hexenyl ester | |||
| propanoic acid, 2-oxo-, 3-hexenyl ester, (Z)- |
click on the picture(s) below to interact with the 3D model | |
| |
| Similar Items: note | |
| isoamyl pyruvate | |
| ethyl pyruvate | |
| methyl pyruvate | |
| propyl pyruvate | |
| Soluble in: | |
| alcohol | |
| water, 4917 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |