CAS 541-31-1

3-Methyl-1-butanethiol

Description:

3-Methyl-1-butanethiol, also known as isobutyl mercaptan, is an organic compound with the molecular formula C5H12S. It is characterized by a thiol functional group (-SH) attached to a branched alkane chain. This compound typically appears as a colorless to pale yellow liquid with a strong, unpleasant odor reminiscent of garlic or skunk, which makes it useful as an odorant in natural gas to detect leaks. It has a relatively low boiling point and is soluble in organic solvents but only slightly soluble in water. The presence of the thiol group imparts distinct chemical properties, including reactivity with oxidizing agents and the ability to form disulfides. 3-Methyl-1-butanethiol is used in various applications, including flavoring agents in the food industry and as a chemical intermediate in organic synthesis. Due to its strong odor, it is also studied for its potential effects on human health and environmental impact. Proper handling and storage are essential due to its volatility and potential irritant properties.

Formula: C₅H₁₂S

InChI: InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChI key: InChIKey=GIJGXNFNUUFEGH-UHFFFAOYSA-N

SMILES: C(C(C)C)CS

Synonyms:

• 1-Butanethiol, 3-methyl-
• 2-Methyl-4-butanethiol
• 3-Methylbutan-1-thiol
• 3-Methylbutane-1-Thiol
• 3-Methylbutanethiol
• 3-Methylbutyl mercaptan
• Isoamyl mercaptan
• Isoamyl sulfhydrate
• Isopentanethiol
• Isopentyl mercaptan
• Isopentylthiol
• iso-Amyl mercaptan

Isoamyl Mercaptan

CAS: 541-31-1

Formula: C₅H₁₂S

Purity: >94.0%(T)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 104.21

Ref: 3B-I0149

3-Methyl-1-butanethiol

Controlled Product

CAS: 541-31-1

Formula: C₅H₁₂S

Color and Shape: Neat

Molecular weight: 104.21

Ref: TR-M288895

3-methylbutane-1-thiol

CAS: 541-31-1

Formula: C₅H₁₂S

Purity: 94.0%

Color and Shape: No data available.

Molecular weight: 104.21

Ref: 10-F358459

3-Methyl-1-butanethiol

CAS: 541-31-1

3-Methyl-1-butanethiol is a chemical compound that belongs to the class of sulfonic acids. It has been shown to be an effective inhibitor of the formation of sulfonated compounds in urine samples. 3-Methyl-1-butanethiol also possesses a hydroxyl group and chlorine atom, which are responsible for its inhibitory effects on the polymerization initiator. The hydroxyl group is involved in the synthesis of 3-methyl-1-butanol and 3,3′,5′-trimethylhexane by reacting with methanol and ethylene oxide respectively. The chlorine atom acts as a nucleophile in the reaction with sodium chloride to form chloroacetic acid. This chemical compound also contains a divalent magnesium ion that can act as a cocatalyst for polymerization reactions.

Formula: C₅H₁₂S

Purity: Min. 95%

Molecular weight: 104.21 g/mol

Ref: 3D-FM35723