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Specifications
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Appearance |
Colorless to light yellow liquid |
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Content (GC) |
98.0% min |
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Identification |
1H-NMR |
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Single Contaminant |
1.0% max |
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Water Content |
0.5% max |
Transport Information
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Parameter |
Specification |
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UN Number |
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Class |
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Packing Group |
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H.S. Code |
2930909099309 |
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Stability & Reactivity |
The product is chemically stable under standard ambient conditions. |
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Storage |
Storage conditions Tightly closed. Storage class Storage class (TRGS 510): 10: Combustible liquids |
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Condition to Avoid |
Strong heating. |
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Package |
2,6-Dimethylthiophenol丨CAS 118-72-9 is an aromatic thiol compound with two methyl substituents in the ortho positions relative to the thiol group. The presence of these methyl groups influences the reactivity and steric environment of the molecule, making it a valuable intermediate in organic synthesis, coordination chemistry, and industrial formulations. It is mainly used in the production of specialty chemicals, pharmaceuticals, and metal chelates.
Applications
1. Ligand and Chelating Agent
Acts as a soft donor ligand due to the sulfur atom in the thiol group.
Forms stable metal-thiolate complexes with transition metals (e.g., Ag, Cu, Pd, Pt), useful in:
Catalysis
Analytical chemistry
Metal separation and recovery
2. Intermediate in Organic Synthesis
Used in the preparation of:
Pharmaceuticals and bioactive compounds
Thioethers, sulfides, and thiol-functionalized heterocycles
Important for constructing molecules with sulfur-containing functional groups, especially in drug development and agrochemical industries.
3. Polymer and Rubber Industry
Employed as a vulcanization agent or modifier in rubber processing due to its sulfur content.
May serve as an intermediate for antioxidants or stabilizers in polymer formulations.
4. Fragrance and Flavors (Limited Use)
Some thiophenols (though not typically this one due to odor) are used in trace amounts to modulate aromas in perfumery or analytical flavor studies.
Research tool in odorant compound studies, despite its strong and generally unpleasant smell.
Benefits
1. Reactive Functional Group (–SH)
The thiol group enables nucleophilic substitution, thiolation, and metal complexation.
Ideal for introducing sulfur into aromatic rings in a controlled manner.
2. Steric Effects from Ortho Methyl Groups
Ortho methyl groups influence reactivity:
Increase steric hindrance, offering selectivity in reactions
Affect electronic properties of the aromatic ring, which can be beneficial in catalyst design and ligand performance
3. Versatility in Coordination Chemistry
Effective at binding soft metal ions and stabilizing metal–sulfur bonds.
Used in transition metal complex synthesis for catalysis and material science applications.
Conclusion
2,6-Dimethylthiophenol丨CAS 118-72-9 is a functionalized aromatic thiol valued in organic synthesis, metal complexation, and specialty chemical production. Its combination of a reactive –SH group and ortho methyl substituents makes it a versatile building block for creating sulfur-containing compounds, ligands, and performance materials. While its strong odor limits some uses, it remains an important intermediate in chemical and materials science.
