4-Methylcatechol

• CAS: 452-86-8
• Catalog Number: ACM452868
• Category: Other Products
• Molecular Weight: 124.14
• Molecular Formula: C7H8O2
• Description: Solid
• Synonyms: 2-Hydroxy-4-methylphenol
• IUPAC Name: 4-Methylbenzene-1,2-diol
• Canonical SMILES: CC1=CC(=C(C=C1)O)O
• InChI: InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
• InChI Key: ZBCATMYQYDCTIZ-UHFFFAOYSA-N
• Boiling Point: 251 °C(lit.)
• Melting Point: 67-69 °C(lit.)
• Flash Point: 140 °C
• Density: 1.129 g/mL at 25 °C(lit.)
• Solubility: Soluble in water
• Appearance: Solid
• Storage: Keep in dark place, inert atmosphere, room temperature
• Complexity: 92.9
• Covalently-Bonded Unit Count: 1
• EC Number: 207-214-5
• Exact Mass: 124.052429494
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 9
• LogP: 1.37 (LogP);1.37
• Monoisotopic Mass: 124.052429494
• NSC Number: 17489
• Physical State: Powder
• pKa: 9.91±0.10(Predicted)
• Refractive Index: 1.5425
• Rotatable Bond Count: 0
• Storage Conditions: Dark place,inert atmosphere,Room temperature
• Topological Polar Surface Area: 40.5 Ų
• UNII: 12GLI7JGB3
• XLogP3: 1.4