Description

(4-Tert-butylphenyl)methanethiol (CAS No. 49543-63-7) is a high-purity organosulfur compound with the molecular formula C₁₁H₁₆S. This specialized chemical features a tert-butyl-substituted phenyl ring bonded to a methanethiol group, offering unique steric and electronic properties for advanced synthetic applications. Ideal for researchers in organic synthesis, materials science, and pharmaceutical development, our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in amber glass vials under inert atmosphere to prevent oxidation. The compound’s lipophilic character and thiol reactivity make it valuable for ligand design, polymer modification, and surface functionalization. Available in quantities from 1g to 100g with customizable packaging options.

Properties

• CAS Number: 49543-63-7
• Complexity: 126
• IUPAC Name: (4-tert-butylphenyl)methanethiol
• InChI: InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
• InChI Key: UIYKSYBJKIMANV-UHFFFAOYSA-N
• Exact Mass: 180.09727168
• Molecular Formula: C11H16S
• Molecular Weight: 180.31
• SMILES: CC(C)(C)C1=CC=C(C=C1)CS
• Topological: 1
• Monoisotopic Mass: 180.09727168
• Synonyms: (4-tert-butylphenyl)methanethiol, 628-884-9, 49543-63-7, 4-tert-Butylbenzyl mercaptan, (4-(tert-Butyl)phenyl)methanethiol, Benzenemethanethiol, 4-(1,1-dimethylethyl)-, [4-(tert-butyl)phenyl]methanethiol, 4-(tert-Butyl)benzyl mercaptan, MFCD00068220, p-t-butylbenzyl mercaptan, 4-t-butylbenzyl mercaptan, 4-tertbutylbenzyl mercaptan, 4-tert-butybenzyl mercaptan, 4-tert-butylphenylmethanethiol, 4954-36-3, SCHEMBL439946, 4-tert-Butylbenzenemethanethiol, 4-tert.-butyl-benzyl mercaptan, SCHEMBL5075930, DTXSID50373791, ZBA54363, SBB055206, AKOS000199987, [4-(tert-butyl)phenyl]methane-1-thiol, AC-10589, AS-47873, B5936, F16472, EN300-1288428

Application

This compound serves as a versatile building block in asymmetric catalysis where its bulky tert-butyl group induces steric control. The reactive thiol moiety enables facile conjugation to gold surfaces for nanotechnology applications. Researchers utilize it as a chain transfer agent in radical polymerizations and as a precursor for odorant synthesis in fragrance chemistry.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.