(E,E)-methyl sorbate
methyl (E,E)-hexa-2,4-dienoate

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  BOC Sciences

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  Product(s):
  689-89-4 Methyl Sorbate

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  Penta International Corporation

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  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.
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  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.
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  Product(s):
  METHYL SORBATE

Name: methyl (2E,4E)-hexa-2,4-dienoate 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, Edge 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: 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 For Odor anise anise oleoresin FL/FR anise seed oil FL/FR star anise seed oil china FL/FR sweet fennel absolute FL/FR sweet fennel oleoresin FL/FR sweet fennel seed oil FL/FR foeniculum vulgare fruit extract FL/FR foeniculum vulgare mill. var. dulce d.c. fruit extract FL/FR anisic dihydroanethol FL/FR estragole FL/FR ethyl para-anisate FL/FR ocimum basilicum herb oil FL/FR ocimum basilicum herb oil egypt FL/FR ocimum basilicum leaf oil america FL/FR ocimum basilicum leaf oil CO2 extract FL/FR ocimum basilicum leaf oil india FL/FR sassafras acetate FL/FR balsamic (E)- cinnamyl alcohol FL/FR guaiyl acetate FL/FR 2- phenyl propyl alcohol FL/FR bready furfural FL/FR caramellic caramel pentadione FL/FR maltyl propionate FL/FR maple furanone FL/FR 5- methyl furfural FL/FR shoyu furanone FL/FR strawberry furanone FL/FR chemical iso butyl formate FL/FR propyl propionate FL/FR citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR 2- ethyl-1-hexanol FL/FR ethereal ethyl acetate FL/FR iso propyl formate FL/FR fatty (R)-gamma- octalactone FL/FR floral acetophenone FL/FR benzyl isobutyrate FL/FR citronellyl anthranilate FL/FR geranium oil FL/FR geranium oil bourbon FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR terpinyl valerate FL/FR fruity iso butyl acetoacetate FL/FR cinnamyl hexanoate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl benzoyl acetate FL/FR ethyl butyrate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR 2- hexen-1-ol FL/FR linalyl isobutyrate FL/FR menthyl isovalerate FL/FR methyl anthranilate FL/FR methyl heptanoate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR propyl hexanoate FL/FR iso propyl octanoate FL/FR strawberry glycidate 2 FL/FR tetrahydrofurfuryl acetate FL/FR tropical ionone FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR vanilla carboxylate FL/FR green hexyl isobutyrate FL/FR hop oil CO2 extract FL/FR murraya koenigii leaf oil india FL/FR (E)-2- octen-1-ol FL/FR 2- octen-1-ol FL/FR herbal anethum graveolens herb oil FL/FR anethum graveolens herb tincture FL/FR wild carrot seed oil terpeneless FL/FR celery ketone FL/FR clary sage absolute FL/FR daucus carota fruit oil FL/FR dill weed oil cuba FL/FR dill weed oil reunion FL/FR hop absolute FL/FR hop oil FL/FR lovage tincture FL/FR curled parsley seed oil FL/FR perilla leaf oil FL/FR petroselinum crispum seed oil CO2 extract FL/FR thyme absolute FL/FR licorice (E)- anethol FL/FR anethol FL/FR ocimum basilicum herb oil vietnam FL/FR ocimum basilicum leaf oil terpeneless FL/FR minty carvone FL/FR bitter fennel seed oil lithuania CS musty 2- acetyl pyrrole FL/FR spicy iso butyl angelate FL/FR cinnamaldehyde dimethyl acetal FL/FR cumin seed absolute FL/FR cuminaldehyde FL/FR black currant bud absolute FL/FR methyl heptadienone FL/FR 2- octanol FL/FR (E)- propyl 2-furan acrylate FL/FR tarragon oil replacer FL/FR annus wormwood oil vietnam FL/FR sulfurous lychee mercaptan acetate FL/FR waxy ethyl decanoate FL/FR woody 4- hydroxybenzaldehyde FL/FR For Flavor No flavor group found for these anethol FL/FR carvone FL/FR (E)- cinnamyl alcohol FL/FR cinnamyl hexanoate FL/FR guaiyl acetate FL/FR (R)-gamma- octalactone FL/FR perilla leaf oil FL/FR 4,4'- thiobis-2-butanone FL acidic acidic (E)-2- hexenoic acid FL anise (E)- anethol FL/FR anise oleoresin FL/FR anise seed oil FL/FR star anise seed oil china FL/FR ethyl para-anisate FL/FR sweet fennel absolute FL/FR sweet fennel oleoresin FL/FR sweet fennel seed FL sweet fennel seed oil FL/FR foeniculum vulgare fruit FL foeniculum vulgare fruit extract FL/FR foeniculum vulgare mill. var. dulce d.c. fruit extract FL/FR anisic ocimum basilicum herb oil egypt FL/FR brown furfural FL/FR 5- methyl furfural FL/FR tetrahydrofurfuryl acetate FL/FR buttery butter nut vanilla flavor FL butter vanilla nut flavor FL caramellic caramel dione FL caramel pentadione FL/FR maltyl propionate FL/FR maple furanone FL/FR shoyu furanone FL/FR strawberry furanone FL/FR citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR creamy 4- hydroxybenzaldehyde FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR ethereal ethyl acetate FL/FR 4- hexen-3-one FL fatty 2- ethyl-1-hexanol FL/FR 2- octen-1-ol FL/FR (E)-2- octen-1-ol FL/FR floral geranium oil FL/FR geranium oil bourbon FL/FR linalyl isobutyrate FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR tropical ionone FL/FR fruity benzyl isobutyrate FL/FR iso butyl acetoacetate FL/FR citronellyl anthranilate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl benzoyl acetate FL/FR ethyl butyrate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR 2- furyl pentyl ketone FL 2- hexen-1-ol FL/FR menthyl isovalerate FL/FR methyl anthranilate FL/FR methyl heptanoate FL/FR (E)- propyl 2-furan acrylate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso propyl formate FL/FR propyl hexanoate FL/FR iso propyl octanoate FL/FR strawberry glycidate 2 FL/FR terpinyl valerate FL/FR vanilla carboxylate FL/FR green anethum graveolens herb tincture FL/FR iso butyl angelate FL/FR celery ketone FL/FR (E)-2- heptenal FL hexyl isobutyrate FL/FR methyl heptadienone FL/FR 2- phenyl propyl alcohol FL/FR herbal anethum graveolens herb oil FL/FR wild carrot seed oil terpeneless FL/FR clary sage absolute FL/FR daucus carota fruit oil FL/FR dihydroanethol FL/FR dill weed oil cuba FL/FR dill weed oil reunion FL/FR hop absolute FL/FR hop oil FL/FR lovage tincture FL/FR ocimum basilicum herb oil FL/FR ocimum basilicum leaf oil america FL/FR ocimum basilicum leaf oil CO2 extract FL/FR ocimum basilicum leaf oil india FL/FR curled parsley seed oil FL/FR petroselinum crispum seed oil CO2 extract FL/FR thyme absolute FL/FR juicy lychee mercaptan acetate FL/FR licorice 2- butyl-3-methyl pyrazine FL estragole FL/FR ocimum basilicum herb oil vietnam FL/FR ocimum basilicum leaf oil terpeneless FL/FR nutty 2- acetyl pyrrole FL/FR powdery acetophenone FL/FR rummy iso butyl formate FL/FR spicy cinnamaldehyde dimethyl acetal FL/FR cumin seed absolute FL/FR cuminaldehyde FL/FR black currant bud absolute FL/FR hop oil CO2 extract FL/FR murraya koenigii leaf oil india FL/FR 2- octanol FL/FR tarragon oil replacer FL/FR annus wormwood oil vietnam FL/FR sulfurous S- ethyl thioacetate FL sweet agave flavor FL tarragon sassafras acetate FL/FR tropical propyl propionate FL/FR vanilla vanilla nut creme flavor FL waxy ethyl decanoate FL/FR   Potential Uses: FL anise FL licorice FL prune FL raisin FR tobacco FL vanilla   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)-   Articles:   None found yet. 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Notes: None found