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(E,E)-ethyl sorbate
General Material Information
| Preferred name | (E,E)-ethyl sorbate |
| Trivial Name | Ethyl sorbate |
| Short Description | ethyl (E,E)-2,4-hexadienoate |
| Formula | C8 H12 O2 |
| CAS Number | 2396-84-1 |
| Deleted CAS Number | 5941-48-0 |
| FEMA Number | 2459 |
| Flavis Number | 9.194 |
| ECHA Number | 219-258-2 |
| FDA UNII | HSR16USG4D |
| Nikkaji Number | J114.256I |
| Beilstein Number | 1362941 |
| MDL | MFCD00009296 |
| COE Number | 635 |
| xLogP3-AA | 1.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1178 ethyl sorbate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2396-84-1 ; ETHYL 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 |
| 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 |
Suppliers
| BOC Sciences | Grau Aromatics |
| Inoue Perfumery | Kingchem Laboratories |
| Penta International | Sigma-Aldrich |
| SRS Aromatics | TCI AMERICA |
| Penta International Corporation | SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 140.18203735352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.788 to 7.813 |
| Refractive Index | 1.491 to 1.498 @ 20 °C |
| Boiling Point | 82 to 83°C @ 13 mm Hg |
| Boiling Point | 195 to 196°C @ 760 mm Hg |
| Vapor Pressure | 0.418 mmHg @ 25 °C |
| Flash Point TCC Value | 69.44 °C TCC |
| logP (o/w) | 2.416 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 747.7 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| warm, fruity, anise, licorice, ethereal, sweet, green, tropical, pineapple | |
| General comment | At 100.00 %. warm fruity anise licorice ether |
| Mosciano, Gerard P&F 17, No. 5, 127, (1992) | Sweet, fruity, green, with a tropical pineapple nuance |
| Flavor Type: Fruity | |
| fruity, sweet, green, pineapple, tutti frutti, juicy, tropical | |
| Mosciano, Gerard P&F 17, No. 5, 127, (1992) | At 30.00 ppm. Fruity, sweet, green, pineapple, tutti frutti-like with juicy tropical nuances |
| Used in pineapple, wine, rum, caramel, licorice, root beer, vanilla, nut, coconut, peach and apricot flavors. | Fruity |
Potential Uses
| Applications | |
| Odor purposes | Anise, Apple, Apricot, Coconut, Fruit, Gooseberry, Licorice, Melon, Passion fruit, Peach, Pear, Pineapple, Root beer, Saffron, Valerian, Vanilla |
| Flavoring purposes | Caramel, Nut, Tropical, Valerian |
Safety Information
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
| 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 |