4-n-Propylphenol

• CAS: 645-56-7
• Catalog Number: ACM645567
• Category: Other Products
• Molecular Weight: 136.19g/mol
• Molecular Formula: C9H12O
• Description: Liquid;Solid;Colourless liquid, phenolic odour
• IUPAC Name: 4-propylphenol
• Canonical SMILES: CCCC1=CC=C(C=C1)O
• InChI: InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
• InChI Key: KLSLBUSXWBJMEC-UHFFFAOYSA-N
• Boiling Point: 232.6 °C
• Melting Point: 22.0 °C;Mp 21-22 °;21-22°C
• Density: d04 1.09;0.980-0.986
• Solubility: 0.01 M;1.28 mg/mL at 25 °C;1.28 mg/mL at 25 °C;insoluble in water; soluble in fat;miscible (in ethanol)
• Complexity: 82.7
• Covalently-Bonded Unit Count: 1
• EC Number: 211-446-2
• Exact Mass: 136.088815g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 10
• LogP: 3.2 (LogP);3.20;3.20
• Monoisotopic Mass: 136.088815g/mol
• NSC Number: 65647
• pKa: pKa1 10.34 (20 °)
• Refractive Index: 1.523-1.527
• Rotatable Bond Count: 2
• UNII: H27VG833JY
• Vapor Pressure: 0.04 mmHg
• XLogP3: 3.2