2,2-diphenylethan-1-ol

• ChemBase ID: 10711
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: C(CO)(c1ccccc1)c1ccccc1
• Canonical SMILES: OCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H14O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2
• InChIKey: NYLOEXLAXYHOHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylethan-1-ol
• IUPAC Traditional name: 2,2-diphenyl ethanol
• Synonyms: 2,2-Diphenylethanol; 2,2-Diphenylethanol; 2,2-二苯基乙醇

Database IDs

• CAS Number: 1883-32-5
• EC Number: 217-543-6
• MDL Number: MFCD00004729
• PubChem SID: 160974018; 24851770
• PubChem CID: 74662

CALCULATED PROPERTIES

• Acid pKa: 15.296031
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.993334
• LogD (pH = 7.4): 2.993334
• Log P: 2.993334
• Molar Refractivity: 62.1955 cm^3
• Polarizability: 24.197376 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-56 °C(lit.); 55°C
• Boiling Point: 160°C-162°C/5mm; 190-192 °C/12 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

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

Product Information

• Purity: 97%; 99%
• Linear Formula: (C6H5)2CHCH2OH

DETAILS

Sigma Aldrich - 196568

Packaging
2, 10 g in glass bottle