10-phenyldecan-1-ol

• ChemBase ID: 302184
• Molecular Formular: C16H26O
• Molecular Mass: 234.37704
• Monoisotopic Mass: 234.19836545
• SMILES: c1ccc(cc1)CCCCCCCCCCO
• Canonical SMILES: OCCCCCCCCCCc1ccccc1
• InChI: InChI=1S/C16H26O/c17-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,17H,1-6,8,11-12,15H2
• InChIKey: WNFXODBOMMSELY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-phenyldecan-1-ol
• IUPAC Traditional name: 10-phenyldecan-1-ol
• Synonyms: 10-Phenyl-1-decanol; 10-苯基-1-癸醇

Database IDs

• CAS Number: 62607-69-6
• MDL Number: MFCD00014426
• Beilstein Number: 1955067

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.0511065
• LogD (pH = 7.4): 5.0511065
• Log P: 5.0511065
• Molar Refractivity: 74.4369 cm^3
• Polarizability: 29.338577 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 35-37°C
• Boiling Point: 145-147°C/0.5mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%