(2-phenoxyphenyl)methanol

• ChemBase ID: 40816
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: c1(Oc2ccccc2)c(CO)cccc1
• Canonical SMILES: OCc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C13H12O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2
• InChIKey: VMZBMTWFHYYOIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyphenyl)methanol
• IUPAC Traditional name: (2-phenoxyphenyl)methanol
• Synonyms: 2-Phenoxybenzyl alcohol; (2-Phenoxyphenyl)methanol; (2-Phenoxyphenyl)methanol; 2-(Hydroxymethyl)diphenyl ether; 2-Phenoxybenzyl alcohol 97%

Database IDs

• CAS Number: 13807-84-6
• MDL Number: MFCD00017297
• PubChem SID: 162045579
• PubChem CID: 3660111

CALCULATED PROPERTIES

• Acid pKa: 14.666075
• 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: 23.124548 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: false; 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: >95%; 97%