Pentaerythritol, tetraisooctanoate

Base Information

• Chemical Name: Pentaerythritol, tetraisooctanoate
• CAS No.: 28880-17-3
• Molecular Formula: C37H68 O8
• DSSTox Substance ID: DTXSID30951516
• Nikkaji Number: J1.227.677J
• Wikidata: Q82929848
• Mol file: 28880-17-3.mol

Synonyms:Pentaerythritol, tetraisooctanoate;28880-17-3;Isooctanoic acid, 2,2-bis(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl ester;Isooctanoic acid, 1,1'-(2,2-bis(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) ester;Isooctanoic acid, 2,2-bis[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl ester;2,2-Bis(((6-methylheptanoyl)oxy)methyl)propane-1,3-diyl bis(6-methylheptanoate);2,2-Bis{[(6-methylheptanoyl)oxy]methyl}propane-1,3-diyl bis(6-methylheptanoate);SCHEMBL2200008;DTXSID30951516;DZNXEEXXLNHHJG-UHFFFAOYSA-N

Chemical Property of Pentaerythritol, tetraisooctanoate

Chemical Property:

• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 32
• Exact Mass: 640.49141912
• Heavy Atom Count: 45
• Complexity: 669

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCC(=O)OCC(COC(=O)CCCCC(C)C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C