Articles:
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methyl (E,E)-hexa-2,4-dienoate
Notes:
None found
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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): 689-89-4 Methyl 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): 13-68500 METHYL SORBATE
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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): METHYL SORBATE
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| CAS Number: | 689-89-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 211-712-8 | |
| FDA UNII: | J3048615R1 | |
| Nikkaji Web: | J184.214E | |
| MDL: | MFCD00038319 | |
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 126.15510000 | |
| Formula: | C7 H10 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | The JECFA evaluated methyl sorbate (CASrn as in Register). CASrn in Register refers to the (E,E)-enantiomer. Register name to be changed to Methyl (E,E)-hexa-2,4-dienoic acid. | |
Category: flavoring 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: | 1177 methyl sorbate |
| DG SANTE Food Flavourings: | 09.300 methyl (E,E)-hexa-2,4-dienoate |
| FEMA Number: | 3714 methyl sorbate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 689-89-4 ; METHYL SORBATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93300 to 0.93800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.763 to 7.805 |
| Refractive Index: | 1.50100 to 1.50500 @ 20.00 °C. |
| Melting Point: | 12.00 to 15.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 180.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.915000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 158.00 °F. TCC ( 70.00 °C. ) |
| logP (o/w): | 1.861 (est) |
| Soluble in: | |
| alcohol | |
| water, 2236 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| pungent fruity licorice | |
| Odor Description: at 100.00 %. | pungent fruity licorice |
| sweet fruity brown spicy green anise | |
| Odor Description: | Sweet, fruity, brown, with a spicy green anise nuance Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Flavor Type: fruity | |
| fruity sweet brown vanilla nutty | |
| Taste Description: at 20.00 ppm. | Fruity, sweet, brown, vanilla and nutty Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Methyl Sorbate |
| Grau Aromatics |
| METHYL-SORBATE
NI, Kosher |
| Kingchem Laboratories |
| METHYL SORBATE (METHYL T2 T4 HEXADIENOATE)
Odor: Pungent, sweet anise or licorice |
| Penta International |
| METHYL SORBATE |
| SRS Aromatics |
| METHYL SORBATE |
Safety Information:
| 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: | flavoring agents | ||
| Recommendation for (E,E)-methyl sorbate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.097 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | 2.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.50000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 2.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 5.00000 | |
| 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): | 689-89-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5323650 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| methyl (2E,4E)-hexa-2,4-dienoate | |
| Chemidplus: | 0000689894 |
References:
| methyl (2E,4E)-hexa-2,4-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 689-89-4 |
| Pubchem (cid): | 5323650 |
| Pubchem (sid): | 135018590 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB29582 |
| FooDB: | FDB000739 |
| Export Tariff Code: | 2916.19.4000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| anise | FL | |
| licorice | FL | |
| prune | FL | |
| raisin | FL | |
| tobacco | FR | |
| vanilla | FL |
Occurrence (nature, food, other): note
| pineapple fruit Search Trop Picture |
Synonyms:
| (E,E)-2,4- | hexadienoic acid methyl ester |
| 2,4- | hexadienoic acid, methyl ester, (2E,4E)- |
| 2,4- | hexadienoic acid, methyl ester, (E,E)- |
| methyl (2E,4E)-hexa-2,4-dienoate | |
| methyl (2E,4E)-hexadienoate | |
| methyl (E,E)-2,4-hexadienoate | |
| methyl (E,E)-hexa-2,4-dienoate | |
| methyl (E),(E)-2,4-hexadienoate | |
| methyl 2,4-hexadienoate, (E,E)- | |
| (2E,4E)- | methyl hexa-2,4-dienoate |
| 2-trans,4-trans- | methyl sorbate |
| methyl sorbate (methyl T2 T4 hexadienoate) | |
| methyl-sorbate | |
| (E,E)- | sorbic acid methyl ester |
| sorbic acid, methyl ester, (E,E)- |