Propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate), stereoisomer

Base Information

• Chemical Name: Propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate), stereoisomer
• CAS No.: 2540-54-7
• Molecular Formula: C57H104 O9
• Molecular Weight: 933.43
• European Community (EC) Number: 219-817-0,232-293-8
• ICSC Number: 1452
• NSC Number: 93749
• Nikkaji Number: J192.033B
• Mol file: 2540-54-7.mol

Synonyms:Castor Oil;Oil, Castor

Chemical Property of Propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate), stereoisomer

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 879.2°Cat760mmHg
• Flash Point: 224.1°C
• PSA: 139.59000
• Density: 0.977g/cm³
• LogP: 15.00950
• XLogP3: 17.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 53
• Exact Mass: 932.76803489
• Heavy Atom Count: 66
• Complexity: 1110

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Biological Agents -> Plant Oils and Extracts
• Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O
• Isomeric SMILES: CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(O)CCCCCC)COC(=O)CCCCCCC/C=C/CC(O)CCCCCC
• Effects of Short Term Exposure: The substance is irritating to the gastrointestinal tract.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.