| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | ethyl 2-sulfanylpropanoate |
| InChI : | InChI=1/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3 |
| InChIKey : | LXXNWCFBZHKFPT-UHFFFAOYAY |
| SMILES : | CCOC(=O)C(C)S |
| (EINECS) number : | 243-314-5 |
| cas number : | 19788-49-9 |
| fema number : | 3279 |
| coe number : | 11469 |
| jecfa number : | 552 |
| fl. number : | 12.046 |
| molar refractivity : | 34.84 ± 0.3 cm3 |
| parachor : | 305.0 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 31.2 ± 3.0 dyne/cm |
| density : | 1.040 ± 0.06 g/cm3 |
| polarizability : | 13.81 ± 0.5 10-24cm3 |
| xlogp : | 1.10 |
| molecular weight : | 134.1967000 |
| formula : | C5 H10 O2 S |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | sulfury fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03300 - 1.04300 @ 20.00 °C.
|
| pounds per gallon - calc. : | 8.606 to 8.689
|
| refractive index : | 1.44400 - 1.45400 @ 20.00 °C.
|
| boiling point : | 40.00 - 41.00 °C. @ 1.00 mm Hg
|
| logp : | 1.53 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 137.00 °F. TCC ( 58.33 °C. )
|
| | |
| recommendation for ethyl 2-mercaptopropionate usage levels up to : |
| | 0.0100 % in the fragrance concentrate.
|
| | |
| recommendation for ethyl 2-mercaptopropionate usage levels up to : |
| | 2.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 243-314-5 |
| chemidplus : | 019788499 |
| epa-srs : | 19788-49-9 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 204660 |
| NIST Chemistry WebBook : | 2486502925 |
| | |