2-(hexyloxy)benzaldehyde

• ChemBase ID: 302124
• Molecular Formular: C13H18O2
• Molecular Mass: 206.28082
• Monoisotopic Mass: 206.13067982
• SMILES: CCCCCCOc1ccccc1C=O
• Canonical SMILES: CCCCCCOc1ccccc1C=O
• InChI: InChI=1S/C13H18O2/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,11H,2-4,7,10H2,1H3
• InChIKey: IFOIDROUJIGQAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hexyloxy)benzaldehyde
• IUPAC Traditional name: 2-(hexyloxy)benzaldehyde
• Synonyms: 2-n-Hexyloxybenzaldehyde; 2-正己氧基苯甲醛

Database IDs

• CAS Number: 7162-59-6
• EC Number: 000-000-0
• MDL Number: MFCD00014131
• Beilstein Number: 2258613

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7411132
• LogD (pH = 7.4): 3.7411132
• Log P: 3.7411132
• Molar Refractivity: 62.1808 cm^3
• Polarizability: 23.953627 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 132-134°C/0.5mm
• Refractive Index: 1.5200

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否

Product Information

• Purity: 96%