592-88-1
Product Name:
Diallyl sulfide
Formula:
C6H10S
Synonyms:
3,3′-Thiobis-1-propene;Diallyl sulfide;NSC 20947;Thioallyl ether
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a garlic odor; [Hawley] |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Garlic odor |
| Taste | Garlic |
| Boiling Point | 139 °C |
| Melting Point | -85 °C |
| Flash Point | 46.11 °C |
| Solubility | Practically insoluble in water. Miscible with alcohol, chloroform, ether, carbon tetrachloride. |
| Density | 0.888 at 27 °C/4 °C |
| Vapor Pressure | 9.22 [mmHg] |
| LogP | 2.610 |
| Refractive Index | Index of refraction = 1.4877 at 27 °C/D |
| Kovats Retention Index | 850 835 850 850 854 854 848 838 872 852 852 849 |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.21 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 114.05032149 g/mol |
| Monoisotopic Mass | 114.05032149 g/mol |
| Topological Polar Surface Area | 25.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 49.2 |
| 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
Diallyl sulfide is an organic sulfide.