ethyl icosanoate

• ChemBase ID: 104115
• Molecular Formular: C22H44O2
• Molecular Mass: 340.58356
• Monoisotopic Mass: 340.33413065
• SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC
• InChI: InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3
• InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl icosanoate
• IUPAC Traditional name: ethyl eicosanoate
• Synonyms: Ethyl arachidate; ARACHIDIC ACID ETHYL ESTER; Arachidic acid ethyl ester; Ethyl arachidate

Database IDs

• CAS Number: 18281-05-5
• MDL Number: MFCD00056233
• PubChem SID: 162091482; 24891396
• PubChem CID: 29009

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.5375595
• LogD (pH = 7.4): 8.5375595
• Log P: 8.5375595
• Molar Refractivity: 105.0053 cm^3
• Polarizability: 42.04512 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C
• 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%; 99%

DETAILS

MP Biomedicals - 02154791

(Ethyl arachidate) Purity: 99% Crystalline