2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane

Basic Information

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CAS Number

828-26-2

Molecular Formula

C9H18S3

Molecular Weight

222.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

24 ºC

Boiling Point

107°C/10mmHg

Density

1.065

Flash Point

17 ºC

Refractive Index

1.54

SMILES

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CC1(C)SC(C)(C)SC(C)(C)S1

InChI

InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3

InChIKey

NBNWHQAWKFYFKI-UHFFFAOYSA-N

LogP

4.407900000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

131

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane
Trithioacetone
2,2,4,4,6,6-Hexamethyl-S-trithiane
TETRAHYDRO-3-THIENONE
hexamethyl-1,3,5-trithiane

MDL Number

MFCD00066341

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane (CAS: 828-26-2)?

2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane (CAS: 828-26-2) falls under the classification of organic peroxides and is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). In Europe, it must comply with the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations. The FDA and EPA may also have specific requirements for its handling and disposal.

Are there alternatives to 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane in synthesis?

Synthesizers may opt for alternatives such as 1,3,5-Trithiane or 1,3,5-Trithiophane, which can serve similar purposes in organic synthesis. These alternatives often have different reactivity profiles and may be more readily available in certain regions. However, it is essential to evaluate the specific requirements of the reaction to choose the most suitable alternative.

What is the market or research trend for 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane?

The market for 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane (CAS: 828-26-2) is driven by its use in the pharmaceutical and polymer industries. Recent research trends focus on its potential as a monomer in polymer synthesis and as an intermediate in the preparation of various organic compounds. Market dynamics are influenced by price fluctuations and increasing demand in the pharmaceutical sector.

How should waste containing 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane be handled?

Waste containing 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane (CAS: 828-26-2) should be collected and stored in appropriate containers to prevent spillage. Incineration or professional waste disposal services are recommended for safe disposal. Environmental protection measures, such as ensuring proper ventilation and using protective equipment, should be followed to minimize environmental impact. Compliance with local environmental regulations is mandatory.