Isobutyl (Z)-docos-13-enoate

Base Information

• Chemical Name: Isobutyl (Z)-docos-13-enoate
• CAS No.: 19773-50-3
• Molecular Formula: C26H50 O2
• Molecular Weight: 394.674
• European Community (EC) Number: 243-290-6
• DSSTox Substance ID: DTXSID701293966
• Nikkaji Number: J225.274K
• Mol file: 19773-50-3.mol

Synonyms:Isobutyl (Z)-docos-13-enoate;19773-50-3;EINECS 243-290-6;2-methylpropyl (Z)-docos-13-enoate;DTXSID701293966;2-Methylpropyl (13Z)-13-docosenoate;(Z)-13-Docosenoic acid isobutyl ester

Chemical Property of Isobutyl (Z)-docos-13-enoate

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Boiling Point: 460.2°C at 760 mmHg
• Flash Point: 76.9°C
• PSA: 26.30000
• Density: 0.867g/cm³
• LogP: 8.78350
• XLogP3: 11.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 394.381080833
• Heavy Atom Count: 28
• Complexity: 346

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(C)C
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(C)C

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