2,2-Bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate

Base Information

• Chemical Name: 2,2-Bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate
• CAS No.: 96692-62-5
• Molecular Formula: C27H48O8S2
• Molecular Weight: 564.7952
• European Community (EC) Number: 306-281-9
• DSSTox Substance ID: DTXSID90242391
• Nikkaji Number: J333.667K
• Wikidata: Q83126074
• Mol file: 96692-62-5.mol

Synonyms:96692-62-5;EINECS 306-281-9;2,2-BIS[(3-MERCAPTO-1-OXOPROPOXY)METHYL]-1,3-PROPANEDIYL DIOCTANOATE;2,2-Bis((3-mercapto-1-oxopropoxy)methyl)-1,3-propanediyl dioctanoate;Octanoic acid, 2,2-bis((3-mercapto-1-oxopropoxy)methyl)-1,3-propanediyl ester;DTXSID90242391;C27H48O8S2;C27-H48-O8-S2;Bis[octanoic acid]2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester

Chemical Property of 2,2-Bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate

Chemical Property:

• Vapor Pressure: 9.34E-16mmHg at 25°C
• Boiling Point: 629.5°Cat760mmHg
• Flash Point: 473.2°C
• PSA: 182.80000
• Density: 1.093g/cm³
• LogP: 5.50640
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 28
• Exact Mass: 564.27906083
• Heavy Atom Count: 37
• Complexity: 588

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCS)COC(=O)CCS