ethyl aconitate
ethyl aconitate (mixed esters)
Identification
| Name | ethyl aconitate |
| IUPAC | (Z)-2-(2-ethoxy-2-oxoethyl)but-2-enedioate |
| CAS Number | 1321-30-8 |
| FDA UNII | 2R96Y9274S |
| Molecular Formula | C8 H10 O6 |
| Molecular Weight | 202.16290000 |
| CoE Number | 11845 |
Regulatory
| JECFA Food Flavoring | 628 ethyl aconitate (mixed esters) |
| DG SANTE Food Flavourings | 09.510 ethyl aconitate |
| FEMA Number | 2417 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1321-30-8 ; ETHYL ACONITATE (MIXED ESTERS) |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.09610 @ 25.00 °C. |
| Refractive Index | 1.45771 @ 15.00 °C. |
| Boiling Point | 172.00 °C. @ 18.00 mm Hg, 260.00 °C. @ 760.00 mm Hg |
| Flash Point | 368.00 °F. TCC ( 186.67 °C. ) |
| logP (o/w) | 0.508 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| 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 | flavoring agents |
| Recommendation for ethyl aconitate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| 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
aconitic acid ethyl ester
(Z)-2-(2-
ethoxy-2-oxoethyl)but-2-enedioate
ethyl 1-propene-1,2,3-tricarboxylate
mono
ethyl 1-propene-1,2,3-tricarboxylate
mono-
ethyl 1-propene-1,2,3-tricarboxylate
ethyl 2-carboxyglutaconate
ethyl aconitate (mixed esters)
1-
propene-1,2,3-tricarboxylic acid ethyl ester
1-
propene-1,2,3-tricarboxylic acid monoethyl ester
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