4-(nonyloxy)benzaldehyde

• ChemBase ID: 302132
• Molecular Formular: C16H24O2
• Molecular Mass: 248.36056
• Monoisotopic Mass: 248.17763001
• SMILES: CCCCCCCCCOc1ccc(cc1)C=O
• Canonical SMILES: CCCCCCCCCOc1ccc(cc1)C=O
• InChI: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-13-18-16-11-9-15(14-17)10-12-16/h9-12,14H,2-8,13H2,1H3
• InChIKey: OZWJLGGZWZZBKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(nonyloxy)benzaldehyde
• IUPAC Traditional name: 4-(nonyloxy)benzaldehyde
• Synonyms: 4-n-Nonyloxybenzaldehyde; 4-正壬氧基苯甲醛

Database IDs

• CAS Number: 50262-46-9
• MDL Number: MFCD00043712
• Beilstein Number: 2529857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.074819
• LogD (pH = 7.4): 5.074819
• Log P: 5.074819
• Molar Refractivity: 75.9838 cm^3
• Polarizability: 29.485727 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 180-182°C/4mm
• Refractive Index: 1.5190

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否

Product Information

• Purity: 98%