dodecyl icosanoate

• ChemBase ID: 132771
• Molecular Formular: C32H64O2
• Molecular Mass: 480.84936
• Monoisotopic Mass: 480.49063129
• SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
• InChI: InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32(33)34-31-29-27-25-23-14-12-10-8-6-4-2/h3-31H2,1-2H3
• InChIKey: GFFYHZLIDINABP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl icosanoate
• IUPAC Traditional name: dodecyl icosanoate
• Synonyms: Eicosanoic acid dodecyl ester; Lauryl arachidate; Dodecyl arachidate

Database IDs

• CAS Number: 42232-82-6
• MDL Number: MFCD00058479
• PubChem SID: 162227048; 24891354
• PubChem CID: 5214900

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 13.0612
• LogD (pH = 7.4): 13.0612
• Log P: 13.0612
• Molar Refractivity: 150.9383 cm^3
• Polarizability: 60.506657 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%