Isooctadecanoic acid, isohexadecyl ester

Base Information

• Chemical Name: Isooctadecanoic acid, isohexadecyl ester
• CAS No.: 52006-45-8
• Deprecated CAS: 94275-82-8
• Molecular Formula: C34H68O2
• Molecular Weight: 508.90
• European Community (EC) Number: 257-598-3
• UNII: UQP66X2A3X
• DSSTox Substance ID: DTXSID1068699
• Nikkaji Number: J477.553H
• Wikidata: Q27291210
• Mol file: 52006-45-8.mol

Synonyms:isocetyl isostearate;Isooctadecanoic acid, isohexadecyl ester;Isohexadecyl isooctadecanoate;52006-45-8;14-methylpentadecyl 16-methylheptadecanoate;UQP66X2A3X;EINECS 257-598-3;UNII-UQP66X2A3X;ICIS;PELEMOL ICIS;DTXSID1068699;SCHEMBL17542247;ISOCETYL ISOSTEARATE [INCI];ISOSTEARIC ACID, ISOCETYL ESTER;Q27291210

Chemical Property of Isooctadecanoic acid, isohexadecyl ester

Chemical Property:

• Vapor Pressure: 8.87E-11mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 516.6 °C at 760 mmHg
• Flash Point: 275.4 °C
• PSA: 26.30000
• Density: 0.856 g/cm³
• LogP: 11.98420
• XLogP3: 15.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 30
• Exact Mass: 508.52193141
• Heavy Atom Count: 36
• Complexity: 429

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
• Recent ClinicalTrials: A Study Investigating agenT-797 in Participants With Relapsed/Refractory Solid Tumors