CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid with fatty, estery odour |
|---|---|
| Boiling Point | 201.00 to 202.00 °C. @ 760.00 mm Hg |
| Solubility | very slightly |
| Density | 1.036-1.044 |
| Refractive Index | 1.461-1.467 |
| Kovats Retention Index | 1091 1091 1091 1091 1091 1091 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
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
3-methylthiopropyl acetate is an acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid. It has a role as a metabolite. It is an acetate ester and a methyl sulfide. It is functionally related to a 3-methylthiopropanol.