hexadecan-8-ol

• ChemBase ID: 295638
• Molecular Formular: C16H34O
• Molecular Mass: 242.44056
• Monoisotopic Mass: 242.26096571
• SMILES: CCCCCCCCC(CCCCCCC)O
• Canonical SMILES: CCCCCCCCC(CCCCCCC)O
• InChI: InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-16(17)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3
• InChIKey: OLVNUMHZZANJCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecan-8-ol
• IUPAC Traditional name: hexadecan-8-ol
• Synonyms: n-Heptyl n-octyl carbinol; 8-Hexadecanol; 8-十六醇

Database IDs

• CAS Number: 19781-83-0
• MDL Number: MFCD00046733
• PubChem SID: 180681169
• PubChem CID: 549906

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.190106
• LogD (pH = 7.4): 6.190106
• Log P: 6.190106
• Molar Refractivity: 77.0877 cm^3
• Polarizability: 30.861359 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%