[4-(benzyloxy)phenyl]methanol

• ChemBase ID: 52264
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: C(c1ccc(cc1)OCc1ccccc1)O
• Canonical SMILES: OCc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
• InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(benzyloxy)phenyl]methanol
• IUPAC Traditional name: 4-benzyloxybenzyl alcohol
• Synonyms: 4-Benzyloxybenzyl alcohol; 4-Benzyloxybenzyl alcohol; 4-苯甲氧基苯甲醇; 4-苄氧基苄醇

Database IDs

• CAS Number: 836-43-1
• EC Number: 212-649-9
• MDL Number: MFCD00004654
• Beilstein Number: 1877819
• PubChem SID: 24848258; 24851271; 162057027
• PubChem CID: 70043

CALCULATED PROPERTIES

• Acid pKa: 15.0197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.772698
• LogD (pH = 7.4): 2.772698
• Log P: 2.772698
• Molar Refractivity: 63.9497 cm^3
• Polarizability: 24.907024 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84-88°C; 86-87 °C(lit.); 86-87°C; 86-89 °C

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (GC); 97%; 98+%
• Grade: purum
• Linear Formula: C6H5CH2OC6H4CH2OH

DETAILS

Sigma Aldrich - 187372

Packaging
10 g in poly bottle
50 g in glass bottle