icosyl dodecanoate

• ChemBase ID: 104224
• Molecular Formular: C32H64O2
• Molecular Mass: 480.84936
• Monoisotopic Mass: 480.49063129
• SMILES: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
• InChI: InChI=1S/C32H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-34-32(33)30-28-26-24-22-12-10-8-6-4-2/h3-31H2,1-2H3
• InChIKey: GTUGKPSGIYCKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosyl dodecanoate
• IUPAC Traditional name: icosyl dodecanoate
• Synonyms: Arachidyl laurate; LAURIC ACID ARACHIDYL ESTER; Dodecanoic acid eicosyl ester; Arachidyl dodecanoate

Database IDs

• CAS Number: 36617-18-2
• MDL Number: MFCD00056264
• PubChem SID: 162091923; 24896255
• PubChem CID: 4599241

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

• Storage Condition: 0°C, Store Under Nitrogen
• 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 - 02155169

(Arachidyl laurate) Purity: 99% Crystalline