2-ethyl hexyl 3-mercaptopropionate
2-ethylhexyl 3-mercaptopropionate
Identification
| Name | 2-ethyl hexyl 3-mercaptopropionate |
| IUPAC | 2-ethylhexyl 3-sulfanylpropanoate |
| CAS Number | 50448-95-8 |
| EINECS | 256-589-1 |
| FDA UNII | OW5186THXB |
| Molecular Formula | C11 H22 O2 S |
| Molecular Weight | 218.35974000 |
| MDL Number | MFCD00087933 |
| Nikkaji Number | J383.028D |
Regulatory
| JECFA Food Flavoring | 1938 2-ethylhexyl 3-mercaptopropionate |
| FEMA Number | 4588 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 50448-95-8 ; 2-ETHYLHEXYL 3-MERCAPTOPROPIONATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96400 to 0.97000 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.031 to 8.081 |
| Refractive Index | 1.45800 to 1.46400 @ 20.00 °C. |
| Boiling Point | 283.00 to 284.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point | 299.00 °F. TCC ( 148.33 °C. ) |
| logP (o/w) | 4.274 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| 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 2-ethyl hexyl 3-mercaptopropionate usage levels up to | not for fragrance use. |
| baked goods | 0.20000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 2.00000 |
| 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 | 0.20000 |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
2-
ethyl hexyl 3-mercaptopropanoate
2-
ethyl hexyl beta-mercaptopropionate
2-
ethylhexyl 3-mercaptopropanoate
2-
ethylhexyl 3-mercaptopropionate
2-
ethylhexyl 3-sulfanylpropanoate
2-
ethylhexyl beta-mercaptopropionate
3-
mercaptopropanoic acid 2-ethyl hexyl ester
3-
mercaptopropanoic acid 2-ethylhexyl ester
3-
mercaptopropionic acid 2-ethylhexyl ester
2-
octyl 3-mercaptopropionate
propanoic acid, 3-mercapto-, 2-ethylhexyl ester
propanoic acid,3-mercapto-, 2-ethylhexyl ester
PubMed:
From thioether substituted porphyrins to sulfur linked porphyrin dimers: an unusual SNAr via thiolate displacement?
PubMed:
Practical thiol surrogates and protective groups for arylthiols for Suzuki-Miyaura conditions.