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ethyl (E,E)-2,4-hexadienoate
Notes:
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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): 2396-84-1 Ethyl Sorbate
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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): 05-67580 ETHYL SORBATE
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Sigma-Aldrich 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 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W245909 Ethyl sorbate, ≥97%, FG SDS
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SRS Aromatics Ltd For over 25 years Bringing flavour and fragrance into your world. As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply. Email: Info Email: Sales Voice: +44 (0) 1284 704076 Fax: +44 (0) 1284 760819 Twitter Linkedin News Product(s): ETHYL SORBATE
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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): S0055 Ethyl Sorbate >98.0%(GC)
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| CAS Number: | 2396-84-1 |  3D/inchi
|
| Other(deleted CASRN): | 5941-48-0 | |
| ECHA EINECS - REACH Pre-Reg: | 219-258-2 | |
| FDA UNII: | HSR16USG4D | |
| Nikkaji Web: | J114.256I | |
| Beilstein Number: | 1362941 | |
| MDL: | MFCD00009296 | |
| CoE Number: | 635 | |
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 140.18204000 | |
| Formula: | C8 H12 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | The JECFA evaluated ethyl sorbate (CASrn as in Register). CASrn in Register refers to the (E,E)-enantiomer. Register name to be changed to Ethyl (E,E)-hexa-2,4-dienoic acid. | |
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: | 1178 ethyl sorbate |
| DG SANTE Food Flavourings: | 09.194 ethyl (E,E)-hexa-2,4-dienoate |
| FEMA Number: | 2459 ethyl sorbate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2396-84-1 ; ETHYL SORBATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
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: | 0.93600 to 0.93900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.788 to 7.813 |
| Refractive Index: | 1.49100 to 1.49800 @ 20.00 °C. |
| Boiling Point: | 82.00 to 83.00 °C. @ 13.00 mm Hg |
| Boiling Point: | 195.00 to 196.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.418000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 157.00 °F. TCC ( 69.44 °C. ) |
| logP (o/w): | 2.416 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 747.7 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| warm fruity anise licorice ethereal | |
| Odor Description: at 100.00 %. | warm fruity anise licorice ether |
| sweet fruity green tropical pineapple | |
| Odor Description: | Sweet, fruity, green, with a tropical pineapple nuance Mosciano, Gerard P&F 17, No. 5, 127, (1992) |
| Flavor Type: fruity | |
| fruity sweet green pineapple tutti frutti juicy tropical | |
| Taste Description: at 30.00 ppm. | Fruity, sweet, green, pineapple, tutti frutti-like with juicy tropical nuances Mosciano, Gerard P&F 17, No. 5, 127, (1992) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| ETHYL SORBATE ≥97.0%, Kosher | |
| Odor Description: | Fruity, ethereal, rummy Used where an anisic, wine or ethereal character may be needed. |
| Taste Description: | fruity Used in pineapple, wine, rum, caramel, licorice, root beer, vanilla, nut, coconut, peach and apricot flavors. |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Ethyl Sorbate |
| Grau Aromatics |
| ETHYL-SORBATE
NI, Kosher |
| Inoue Perfumery |
| ETHYL SORBATE |
| Kingchem Laboratories |
| ETHYL SORBATE
Odor: Anise, licorice |
| Penta International |
| ETHYL SORBATE |
| Sigma-Aldrich |
| Ethyl sorbate, ≥97%, FG
Odor: ethereal; fruity |
| Certified Food Grade Products |
| SRS Aromatics |
| ETHYL SORBATE |
| TCI AMERICA |
| For experimental / research use only. |
| Ethyl Sorbate >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| 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-mouse LD50 > 8000 mg/kg Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 266, Pg. 1080, 1968. intraperitoneal-mouse LD50 5600 mg/kg Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 266, Pg. 1080, 1968. | |
| Dermal Toxicity: | |
| Not determined | |
| 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,E)-ethyl sorbate usage levels up to: | |||
| 12.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 50.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 18.00000 | |
| beverages(nonalcoholic): | - | 5.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 14.00000 | |
| fruit ices: | - | 14.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 15.00000 | |
| 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: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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): | |
| Flavouring Group Evaluation 70 (FGE.70): Consideration of aliphatic, alicyclic, linear, alpha,beta-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st meeting) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,ß-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2396-84-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 1550470 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| ethyl (2E,4E)-hexa-2,4-dienoate | |
| Chemidplus: | 0002396841 |
| RTECS: | WG2143000 for cas# 2396-84-1 |
References:
| ethyl (2E,4E)-hexa-2,4-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2396-84-1 |
| Pubchem (cid): | 1550470 |
| Pubchem (sid): | 134982218 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40463 |
| FooDB: | FDB020216 |
| Export Tariff Code: | 2916.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| anise | FR | |
| apple | FR | |
| apricot | FR | |
| caramel | FL | |
| coconut | FR | |
| fruit | FR | |
| gooseberry | FR | |
| licorice | FR | |
| melon | FR | |
| nut | FL | |
| passion fruit | FR | |
| peach | FR | |
| pear | FR | |
| pineapple | FR | |
| root beer | FR | |
| saffron | FR | |
| tropical | FL | |
| valerian | FL/FR | |
| vanilla | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| ethyl (2E,4E)-2,4-hexadienoate | |
| ethyl (E,E)-2,4-hexadienoate | |
| (2E,4E)- | ethyl hexa-2,4-dienoate |
| ethyl-sorbate | |
| (2E,4E)-2,4- | hexadienoic acid ethyl ester |
| (E,E)-2,4- | hexadienoic acid ethyl ester |
| 2,4- | hexadienoic acid, ethyl ester |
| 2,4- | hexadienoic acid, ethyl ester, (2E,4E)- |
| (E,E)- | sorbic acid ethyl ester |
| (E,E)- | sorbic acid, ethyl ester |