Octyl docosanoate

Base Information

• Chemical Name: Octyl docosanoate
• CAS No.: 5979-98-6
• Molecular Formula: C30H60 O2
• Molecular Weight: 452.805
• European Community (EC) Number: 227-788-0
• DSSTox Substance ID: DTXSID40208523
• Nikkaji Number: J223.924H
• Wikidata: Q83082643
• Mol file: 5979-98-6.mol

Synonyms:Octyl docosanoate;5979-98-6;EINECS 227-788-0;Docosanoic acid octyl ester;Docosanoic acid, octyl ester;SCHEMBL542304;Docosanoic acid, n.-octyl ester;DTXSID40208523;W-110075

Chemical Property of Octyl docosanoate

Chemical Property:

• Vapor Pressure: 1.47E-09mmHg at 25°C
• Boiling Point: 484.9°C at 760 mmHg
• Flash Point: 255.5°C
• PSA: 26.30000
• Density: 0.858g/cm³
• LogP: 10.71200
• XLogP3: 14.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 28
• Exact Mass: 452.45933115
• Heavy Atom Count: 32
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC

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