CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 65.00 to 67.00 °C. @ 760.00 mm Hg |
| Melting Point | -104.8 °C |
| Solubility | insoluble in water; soluble in alcohols and oils |
| Density | 0.842-0.847 |
| LogP | 1.54 |
| Refractive Index | 1.389-1.399 |
| Kovats Retention Index | 620 622 610 611 605 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 76.16 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 76.03467143 g/mol |
| Monoisotopic Mass | 76.03467143 g/mol |
| Topological Polar Surface Area | 25.3 Ų |
| Heavy Atom Count | 4 |
| Formal Charge | 0 |
| Complexity | 7.2 |
| 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 methyl sulfide is a natural product found in Coffea arabica with data available.