(E,E)-ethyl sorbate
ethyl (E,E)-2,4-hexadienoate
Identification
| Name | (E,E)-ethyl sorbate |
| IUPAC | ethyl (2E,4E)-hexa-2,4-dienoate |
| CAS Number | 2396-84-1 |
| EINECS | 219-258-2 |
| FDA UNII | HSR16USG4D |
| Molecular Formula | C8 H12 O2 |
| Molecular Weight | 140.18204000 |
| MDL Number | MFCD00009296 |
| Nikkaji Number | J114.256I |
| Beilstein | 1362941 |
| CoE Number | 635 |
Regulatory
| JECFA Food Flavoring | 1178 ethyl sorbate |
| DG SANTE Food Flavourings | 09.194 ethyl (E,E)-hexa-2,4-dienoate |
| FEMA Number | 2459 |
| 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 |
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, 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 |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 100.00 %. Sweet, fruity, green, with a tropical pineapple nuance Fruity, ethereal, rummy
|
| Taste Description |
at 30.00 ppm. fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 > 8000 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
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Potential Uses
Natural Occurrence
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
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