4-(dodecyloxy)benzaldehyde

• ChemBase ID: 81996
• Molecular Formular: C19H30O2
• Molecular Mass: 290.4403
• Monoisotopic Mass: 290.2245802
• SMILES: O=Cc1ccc(cc1)OCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCOc1ccc(cc1)C=O
• InChI: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-21-19-14-12-18(17-20)13-15-19/h12-15,17H,2-11,16H2,1H3
• InChIKey: ZBEGLEYBWGNZJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dodecyloxy)benzaldehyde
• IUPAC Traditional name: 4-(dodecyloxy)benzaldehyde
• Synonyms: 1-(4-Formylphenoxy)dodecane; 4-[(Dodec-1-yl)oxy]benzaldehyde; 4-n-Dodecyloxybenzaldehyde; 4-正十二氧基苯甲醛

Database IDs

• CAS Number: 24083-19-0
• MDL Number: MFCD00043523
• Beilstein Number: 2535031
• PubChem SID: 162069115
• PubChem CID: 141069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4085255
• LogD (pH = 7.4): 6.4085255
• Log P: 6.4085255
• Molar Refractivity: 89.7868 cm^3
• Polarizability: 35.02234 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 26-29°C; 26-29°C
• Boiling Point: 165/0.005°C; 165°C/0.005mm

Safety Information

• Storage Warning: Air Sensitive; Irritant/Air Sensitive/Store under Argon
• TSCA Listed: 否

Product Information

• Purity: 98%