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(E,E)-methyl sorbate
General Material Information
| Preferred name | (E,E)-methyl sorbate |
| Trivial Name | Methyl sorbate |
| Short Description | methyl (E,E)-hexa-2,4-dienoate |
| Formula | C7 H10 O2 |
| CAS Number | 689-89-4 |
| FEMA Number | 3714 |
| Flavis Number | 9.3 |
| ECHA Number | 211-712-8 |
| FDA UNII | J3048615R1 |
| Nikkaji Number | J184.214E |
| MDL | MFCD00038319 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1177 methyl sorbate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 689-89-4 ; METHYL SORBATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
Suppliers
| BOC Sciences | Grau Aromatics |
| Kingchem Laboratories | Penta International |
| SRS Aromatics | Penta International Corporation |
| SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 126.15509796143 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.763 to 7.805 |
| Refractive Index | 1.501 to 1.505 @ 20 °C |
| Melting Point | 12 to 15°C @ 760 mm Hg |
| Vapor Pressure | 0.915 mmHg @ 25 °C |
| Flash Point TCC Value | 70 °C TCC |
| logP (o/w) | 1.861 est |
| Solubility | |
| alcohol | Yes |
| water, 2236 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| pungent, fruity, licorice, sweet, brown, spicy, green, anise | |
| General comment | At 100.00 %. pungent fruity licorice |
| Mosciano, Gerard P&F 18, No. 2, 38, (1993) | Sweet, fruity, brown, with a spicy green anise nuance |
| Flavor Type: Fruity | |
| fruity, sweet, brown, vanilla, nutty | |
| Mosciano, Gerard P&F 18, No. 2, 38, (1993) | At 20.00 ppm. Fruity, sweet, brown, vanilla and nutty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Tobacco |
| Flavoring purposes | Anise , Licorice , Prune , Raisin , Vanilla |
Safety Information
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 |