3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate

Base Information

• Chemical Name: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate
• CAS No.: 60550-73-4
• Molecular Formula: C13H26O5
• Molecular Weight: 262.34254
• European Community (EC) Number: 262-288-6
• UNII: 80Z1568XQE
• DSSTox Substance ID: DTXSID30209302
• Nikkaji Number: J122.509J
• Wikidata: Q27269181
• Mol file: 60550-73-4.mol

Synonyms:3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate;Pentaerythrityl monocaprylate;60550-73-4;UNII-80Z1568XQE;80Z1568XQE;EINECS 262-288-6;Pentaerythritol caprylate;pentaerythritol monocaprylate;SCHEMBL1896173;DTXSID30209302;Q27269181;Octanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

Chemical Property of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octanoate

Chemical Property:

• Vapor Pressure: 1.08E-07mmHg at 25°C
• Boiling Point: 390°C at 760 mmHg
• Flash Point: 137.7°C
• PSA: 86.99000
• Density: 1.096g/cm³
• LogP: 0.85340
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 262.17802393
• Heavy Atom Count: 18
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC(CO)(CO)CO