109-80-8
Product Name:
1,3-Dimercaptopropane
Formula:
C3H8S2
Synonyms:
1,3-Dimercaptopropane;1,3-Propanedithiol;Trimethylene dimercaptan
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,3-dimercaptopropane is a clear orange oil with a disagreeable odor. (NTP, 1992) |
|---|---|
| Boiling Point | 336 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -110 °F (NTP, 1992) |
| Flash Point | 138 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.0722 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 16.3 mmHg at 28 °F ; 22.8 mmHg at 77 °F; 34.6 mmHg at 108 °F (NTP, 1992) |
| Refractive Index | 1.537-1.539 |
| Kovats Retention Index | 921 898 |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H301:Acute toxicity,oral H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 108.23 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 108.00674260 g/mol |
| Monoisotopic Mass | 108.00674260 g/mol |
| Topological Polar Surface Area | 2 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 12.4 |
| 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
1,3-dimercaptopropane is a clear orange oil with a disagreeable odor. (NTP, 1992)