naphthalen-2-ylmethanol

• ChemBase ID: 10746
• Molecular Formular: C11H10O
• Molecular Mass: 158.1965
• Monoisotopic Mass: 158.07316494
• SMILES: c1ccc2c(c1)cc(cc2)CO
• Canonical SMILES: OCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
• InChIKey: MFGWMAAZYZSWMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-ylmethanol; (naphthalen-2-yl)methanol
• IUPAC Traditional name: 2-naphthalenemethanol
• Synonyms: 2-Naphthalenemethanol; 2-Naphthalenemethanol; 2-萘甲醇

Database IDs

• CAS Number: 1592-38-7
• MDL Number: MFCD00004124
• PubChem SID: 160974053; 24851267
• PubChem CID: 74128

CALCULATED PROPERTIES

• Acid pKa: 14.959313
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1953728
• LogD (pH = 7.4): 2.1953728
• Log P: 2.1953728
• Molar Refractivity: 49.3241 cm^3
• Polarizability: 20.402277 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-81 °C(lit.); 80°C

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%; 98%
• Linear Formula: C10H7CH2OH

DETAILS

Sigma Aldrich - 187313

Packaging
25 g in poly bottle
5 g in glass bottle