undecan-5-ol

• ChemBase ID: 301947
• Molecular Formular: C11H24O
• Molecular Mass: 172.30766
• Monoisotopic Mass: 172.18271539
• SMILES: CCCCCCC(CCCC)O
• Canonical SMILES: CCCCCCC(CCCC)O
• InChI: InChI=1S/C11H24O/c1-3-5-7-8-10-11(12)9-6-4-2/h11-12H,3-10H2,1-2H3
• InChIKey: PCFOZHPCKQPZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecan-5-ol
• IUPAC Traditional name: undecan-5-ol
• Synonyms: n-Butyl n-hexyl carbinol; 5-Undecanol; 5-十一醇

Database IDs

• CAS Number: 37493-70-2
• EC Number: 253-529-6
• MDL Number: MFCD00046719
• Beilstein Number: 1698382

CALCULATED PROPERTIES

• Acid pKa: 18.484179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9672627
• LogD (pH = 7.4): 3.9672627
• Log P: 3.9672627
• Molar Refractivity: 54.0827 cm^3
• Polarizability: 21.629404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -4°C
• Boiling Point: 139-140°C/17mm
• Density: 0.830
• Refractive Index: 1.4362

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%