ethyl 4-(acetyl thio) butyrate
ethyl 4-(acetylthio)butyrate
Identification
| Name | ethyl 4-(acetyl thio) butyrate |
| IUPAC | ethyl 4-acetylsulfanylbutanoate |
| CAS Number | 104228-51-5 |
| FDA UNII | 9579R62878 |
| Molecular Formula | C8 H14 O3 S |
| Molecular Weight | 190.26218000 |
Regulatory
| JECFA Food Flavoring | 1295 ethyl 4-(acetylthio)butyrate |
| DG SANTE Food Flavourings | 12.257 ethyl 4-(acetylthio) butyrate |
| FEMA Number | 3974 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 104228-51-5 ; ETHYL 4-(ACETYLTHIO)BUTYRATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.07300 to 1.08300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.939 to 9.022 |
| Refractive Index | 1.46800 to 1.47200 @ 20.00 °C. |
| Boiling Point | 262.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.014000 mmHg @ 25.00 °C. (est) |
| Flash Point | 232.00 °F. TCC ( 111.00 °C. ) (est) |
| logP (o/w) | 1.671 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
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 4-(acetyl thio) butyrate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 4.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 348 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 5.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | 2.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 4.00000 |
| condiments / relishes | 2.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 3.00000 |
| fruit ices | 3.00000 |
| gelatins / puddings | 3.00000 |
| granulated sugar | 15.00000 |
| gravies | - |
| hard candy | 2.00000 |
| imitation dairy | 3.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | 2.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 2.00000 |
| soft candy | 3.00000 |
| soups | 3.00000 |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.60000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.04000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.20000 |
| Confectionery (05.0) | 0.75000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.62000 |
| Bakery wares (07.0) | 0.80000 |
| Meat and meat products, including poultry and game (08.0) | 0.73000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | 0.08000 |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.45000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.50000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.10000 |
| Ready-to-eat savouries (15.0) | 1.10000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Potential Uses
Natural Occurrence
Synonyms
butanoic acid, 4-(acetylthio)-, ethyl ester
ethyl 4-(acetyl thio) butanoate
ethyl 4-(acetylsulfanyl)butanoate
ethyl 4-(acetylthio) butanoate
ethyl 4-(acetylthio) butyrate
ethyl 4-(acetylthio)butanoate
ethyl 4-(acetylthio)butyrate
ethyl 4-(acetylthio)butyrate
ethyl 4-acetylsulfanylbutanoate
ethyl4-(acetylthio)butyrate
Try the PubMed Search.