(4-phenoxyphenyl)methanol

• ChemBase ID: 92580
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: OCc1ccc(cc1)Oc1ccccc1
• Canonical SMILES: OCc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C13H12O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2
• InChIKey: FEOMFFKZOZMBKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-phenoxyphenyl)methanol
• IUPAC Traditional name: (4-phenoxyphenyl)methanol
• Synonyms: 4-Phenoxybenzyl alcohol; (4-phenoxyphenyl)methanol; (4-Phenoxyphenyl)methanol; 4-Phenoxybenzyl alcohol 97%

Database IDs

• CAS Number: 2215-78-3
• MDL Number: MFCD01463970
• PubChem SID: 162079278
• PubChem CID: 826195

CALCULATED PROPERTIES

• Acid pKa: 14.996404
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7061832
• LogD (pH = 7.4): 2.7061832
• Log P: 2.7061832
• Molar Refractivity: 59.1147 cm^3
• Polarizability: 23.124277 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54.5-56°C

Safety Information

• Storage Warning: Harmful
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%