CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid with onion-like, fruity, sweet odour |
|---|---|
| Boiling Point | 196.00 to 197.00 °C. @ 760.00 mm Hg |
| Solubility | 1 mL in 1 mL 95% alcohol (in ethanol) |
| Density | 1.030-1.035 |
| Refractive Index | 1.457-1.463 |
| Kovats Retention Index | 1069 1071 1072 1072 1069.3 1078 1070 1070 1072 1075 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 148.23 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.05580079 g/mol |
| Monoisotopic Mass | 148.05580079 g/mol |
| Topological Polar Surface Area | 51.6 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl 3-(methylthio)propionate is a carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol. It has a role as a plant metabolite. It is a carboxylic ester and a methyl sulfide. It is functionally related to a 3-(methylthio)propionic acid.