8-phenyloctan-1-ol

• ChemBase ID: 8739
• Molecular Formular: C14H22O
• Molecular Mass: 206.32388
• Monoisotopic Mass: 206.16706532
• SMILES: C(O)CCCCCCCc1ccccc1
• Canonical SMILES: OCCCCCCCCc1ccccc1
• InChI: InChI=1S/C14H22O/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,15H,1-4,6,9-10,13H2
• InChIKey: MGIGATOGROSKNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-phenyloctan-1-ol
• IUPAC Traditional name: 8-phenyloctan-1-ol
• Synonyms: 8-Phenyl-n-octanol; 8-Phenyl-1-octanol; 8-苯基-1-辛醇

Database IDs

• CAS Number: 10472-97-6
• MDL Number: MFCD00040918
• Beilstein Number: 2556146
• PubChem SID: 160972046
• PubChem CID: 517850

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.161969
• LogD (pH = 7.4): 4.161969
• Log P: 4.161969
• Molar Refractivity: 65.2349 cm^3
• Polarizability: 25.645033 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125-127°C/0.2mm; 125-127°C/0.2mm
• Density: 0.939
• Refractive Index: 1.5050

Safety Information

• TSCA Listed: false; 否

Product Information

• Purity: 97%