hexanedioic acid;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (E)-octadec-9-enoate

Base Information

• Chemical Name: hexanedioic acid;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (E)-octadec-9-enoate
• CAS No.: 68130-33-6
• Molecular Formula: C29H54O9
• Molecular Weight: 546.7337
• European Community (EC) Number: 614-289-1
• Mol file: 68130-33-6.mol

Synonyms:68130-33-6;SCHEMBL5697232;C18-H34-O2.x-(C6H10-O4.C5-H12-O4)x-

Chemical Property of hexanedioic acid;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (E)-octadec-9-enoate

Chemical Property:

• Vapor Pressure: 3.74E-13mmHg at 25°C
• Boiling Point: 523.6°Cat760mmHg
• Flash Point: 165.5°C
• PSA: 161.59000
• Density: g/cm³
• LogP: 5.24640
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 26
• Exact Mass: 546.37678330
• Heavy Atom Count: 38
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)(CO)CO.C(CCC(=O)O)CC(=O)O