1,2-Propanedithiol

Basic Information

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CAS Number

814-67-5

Molecular Formula

C3H8S2

Molecular Weight

108.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-79°C (estimate)

Boiling Point

155 ºC

Density

1.015

Flash Point

35 ºC

Refractive Index

1.5260 to 1.5380

SMILES

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CC(S)CS

InChI

InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3

InChIKey

YGKHJWTVMIMEPQ-UHFFFAOYSA-N

LogP

1.2344999999999997

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

20.9

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 3/6.1 Class 3/6.1

Synonyms & References

English

1,2-Propanedithiol
propane-1,2-dithiol
1,2-Dimercaptopropane
Propylenedithiol
1,2-Dithiolpropane
1-Methyl-1,2-ethanedithiol
2,3-Dimercaptopropane

MDL Number

MFCD00022073

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 1,2-Propanedithiol (CAS: 814-67-5)?

1,2-Propanedithiol (CAS: 814-67-5) is classified as a hazardous chemical under the GHS system. It falls under category 2 for skin corrosion/irritation and category 2 for serious eye damage/eye irritation. In the EU, it is covered by REACH regulations, and in the USA, it is regulated by the FDA for food additives and by the EPA for environmental protection. Specific handling and storage guidelines must be followed to ensure safety and compliance with local, national, and international regulations.

Are there alternatives to 1,2-Propanedithiol (CAS: 814-67-5) in synthesis?

While 1,2-Propanedithiol (CAS: 814-67-5) is a commonly used reagent, there are alternatives depending on the specific application. For example, 1,3-Propanedithiol can be used as an isomer in some reactions. Other alternatives include thiodiglycol and 1,2-Butanedithiol, which can serve similar purposes in different chemical syntheses. However, careful consideration of reactivity and solubility is necessary when substituting these compounds.

What is the market or research trend for 1,2-Propanedithiol (CAS: 814-67-5)?

The market for 1,2-Propanedithiol (CAS: 814-67-5) is driven by its use in various industrial applications, including the production of polyurethane, as a fuel additive, and in the synthesis of certain pharmaceuticals. Research trends are focusing on developing safer and more sustainable alternatives. There is also an increasing emphasis on the environmental impact and waste management of this compound, leading to innovations in recycling and disposal methods.

How should waste containing 1,2-Propanedithiol (CAS: 814-67-5) be handled?

Waste containing 1,2-Propanedithiol (CAS: 814-67-5) should be collected in appropriate containers and stored in a well-ventilated area away from heat sources and incompatible materials. Professional waste disposal services are recommended for safe incineration or chemical neutralization. Environmental precautions include ensuring that no waste is released into the environment and that disposal adheres to local regulations. Special attention should be given to personal protective equipment (PPE) to prevent exposure during handling and disposal.