nonan-4-ol

• ChemBase ID: 295550
• Molecular Formular: C9H20O
• Molecular Mass: 144.2545
• Monoisotopic Mass: 144.15141526
• SMILES: CCCCCC(CCC)O
• Canonical SMILES: CCCCCC(CCC)O
• InChI: InChI=1S/C9H20O/c1-3-5-6-8-9(10)7-4-2/h9-10H,3-8H2,1-2H3
• InChIKey: IXUOEGRSQCCEHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonan-4-ol
• IUPAC Traditional name: 4-nonanol
• Synonyms: n-Amyl n-propyl carbinol; n-Pentyl n-propyl carbinol; 4-Nonanol; 4-壬醇

Database IDs

• CAS Number: 5932-79-6
• EC Number: 227-679-8
• MDL Number: MFCD00021950
• Beilstein Number: 1719438
• PubChem SID: 180681081
• PubChem CID: 22217

CALCULATED PROPERTIES

• Acid pKa: 18.516277
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0781252
• LogD (pH = 7.4): 3.0781255
• Log P: 3.0781255
• Molar Refractivity: 44.8807 cm^3
• Polarizability: 17.937511 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 192-195°C
• Flash Point: 74°C(165°F)
• Density: 0.820
• Refractive Index: 1.4300

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 95%