Sorbitan, didodecanoate

Base Information

• Chemical Name: Sorbitan, didodecanoate
• CAS No.: 28905-44-4
• Molecular Formula: C30H56O7
• Molecular Weight: 528.76144
• European Community (EC) Number: 249-302-6
• DSSTox Substance ID: DTXSID50951538
• Mol file: 28905-44-4.mol

Synonyms:Sorbitan, didodecanoate;DTXSID50951538;EINECS 249-302-6;3,6-Anhydro-1,2-di-O-dodecanoylhexitol

Chemical Property of Sorbitan, didodecanoate

Chemical Property:

• Vapor Pressure: 3.85E-18mmHg at 25°C
• Boiling Point: 623.2°C at 760 mmHg
• Flash Point: 187.1°C
• Density: 1.031g/cm³
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 26
• Exact Mass: 528.40260412
• Heavy Atom Count: 37
• Complexity: 568

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)OC(=O)CCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@H](C(CO1)O)O)OC(=O)CCCCCCCCCCC