CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear, almost colourless liquid; Cooked brown roasted aroma |
|---|---|
| Boiling Point | 255.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in triacetin |
| Kovats Retention Index | 1242 |
SAFETY INFORMATION
| 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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 154.3 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 153.99446384 g/mol |
| Monoisotopic Mass | 153.99446384 g/mol |
| Topological Polar Surface Area | 75.9 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 26.1 |
| 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
2,4,6-Trithiaheptane is a dithioacetal.