CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [HSDB] White solid with a strong offensive odor; [Alfa Aesar MSDS] |
|---|---|
| Color/Form | White crystals |
| Boiling Point | 115.6 °C at 60 mm Hg |
| Melting Point | 112.3 °C |
| Solubility | Soluble in ethanol, ether, carbon tetrachloride, acetic acid and carbon disulfide. |
| Vapor Pressure | 1.57 [mmHg] |
| LogP | log Kow = 0.77 |
| Decomposition | When heated to decomposition it emits toxic vapors of /sulfur oxides/. |
| Kovats Retention Index | 1019 1028 1019 1018.7 1038 1050 1019 |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 120.2 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.00674260 g/mol |
| Monoisotopic Mass | 120.00674260 g/mol |
| Topological Polar Surface Area | 50.6 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 26.5 |
| 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
1,4-dithiane is a dithiane that is cyclohexane in which the -CH2- units at positions 1 and 2 have been replaced by sulfur atoms.