4-Mercapto-4-methyl-2-pentanol

• CAS: 31539-84-1
• Catalog Number: ACM31539841
• Category: Other Products
• Molecular Weight: 134.24
• Molecular Formula: C₆H₁₄OS
• Synonyms: 2-Pentanol, 4-mercapto-4-methyl
• IUPAC Name: 4-Methyl-4-sulfanylpentan-2-ol
• Canonical SMILES: CC(CC(C)(C)S)O
• InChI: InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
• InChI Key: FDBQLLMYSACLPB-UHFFFAOYSA-N
• Boiling Point: 40 °C
• Flash Point: 158 °F
• Density: 0.957 g/mL at 25 °C(lit.)
• Solubility: Soluble in water
• Exact Mass: 134.07653624
• Monoisotopic Mass: 134.07653624
• Odor: Floral, fruity aroma
• Physical State: Liquid
• Refractive Index: n20/D 1.471(lit.)
• Supplemental Hazard Statements: H227-H301-H315-H319-H335
• Symbol: GHS06
• Topological Polar Surface Area: 21.2 Ų