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) |
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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 |
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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 |
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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)