non-1-en-3-ol

• ChemBase ID: 302032
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCCCCCC(C=C)O
• Canonical SMILES: CCCCCCC(C=C)O
• InChI: InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
• InChIKey: DWUPJMHAPOQKGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-1-en-3-ol
• IUPAC Traditional name: 1-nonen-3-ol
• Synonyms: n-Hexyl vinyl carbinol; 1-Nonen-3-ol; 1-壬烯-3-醇

Database IDs

• CAS Number: 21964-44-3
• EC Number: 244-686-1
• MDL Number: MFCD00021953
• Beilstein Number: 1745976

CALCULATED PROPERTIES

• Acid pKa: 17.48764
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.930045
• LogD (pH = 7.4): 2.930045
• Log P: 2.930045
• Molar Refractivity: 44.7708 cm^3
• Polarizability: 17.702093 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 192-194°C
• Flash Point: 84°C(183°F)
• Density: 0.840
• Refractive Index: 1.4420

Safety Information

• TSCA Listed: 是
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A

Product Information

• Purity: 98%