3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonan-1-oate

Base Information

• Chemical Name: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonan-1-oate
• CAS No.: 94108-24-4
• Molecular Formula: C14H28 O5
• Molecular Weight: 276.36912
• European Community (EC) Number: 302-363-3
• UNII: XC4ZP2C48R
• DSSTox Substance ID: DTXSID70240572
• Nikkaji Number: J122.510C
• Wikidata: Q83123520
• Mol file: 94108-24-4.mol

Synonyms:94108-24-4;3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonan-1-oate;EINECS 302-363-3;pentaerythritol pelargonate;XC4ZP2C48R;SCHEMBL1895871;DTXSID70240572;URGQBRTWLCYCMR-UHFFFAOYSA-N;NS00040050;3-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL NONANOATE;Nonanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

Chemical Property of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl nonan-1-oate

Chemical Property:

• Vapor Pressure: 3.36E-08mmHg at 25°C
• Boiling Point: 403.7°Cat760mmHg
• Flash Point: 140.4°C
• PSA: 86.99000
• Density: 1.079g/cm³
• LogP: 1.24350
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 276.19367399
• Heavy Atom Count: 19
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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