Sorbitan, monooctanoate

Base Information

• Chemical Name: Sorbitan, monooctanoate
• CAS No.: 60177-36-8
• Molecular Formula: C14H26O6
• Molecular Weight: 290.35264
• European Community (EC) Number: 262-098-3
• DSSTox Substance ID: DTXSID80975601
• Mol file: 60177-36-8.mol

Synonyms:Sorbitan, monooctanoate;EINECS 262-098-3;60177-36-8;[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octanoate;UNII-1VTA8DCP5Q;DTXSID80975601;1,4-Anhydro-5-O-octanoylhexitol;LS-184543

Chemical Property of Sorbitan, monooctanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 475.144°C at 760 mmHg
• Flash Point: 172.686°C
• PSA: 96.22000
• Density: 1.198g/cm³
• LogP: 0.37160
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 290.17293854
• Heavy Atom Count: 20
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

SORBITAN MONOOCTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC(CO)C1C(C(CO1)O)O
• Isomeric SMILES: CCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O