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109-80-8

109-80-8 structural image
Product Name: 1,3-Dimercaptopropane
Formula: C3H8S2
Synonyms: 1,3-Dimercaptopropane;1,3-Propanedithiol;Trimethylene dimercaptan
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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)