Pentaerythritol monooleate

Base Information

• Chemical Name: Pentaerythritol monooleate
• CAS No.: 10332-32-8
• Molecular Formula: C23H44O5
• Molecular Weight: 400.59246
• Hs Code.: 2916150000
• European Community (EC) Number: 233-723-7
• UNII: 46V85GPR8M
• DSSTox Substance ID: DTXSID30893109
• Nikkaji Number: J236.770J
• Wikidata: Q27258960
• Mol file: 10332-32-8.mol

Synonyms:Pentaerythritol monooleate;10332-32-8;3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoate;pentaerythrityl monooleate;UNII-46V85GPR8M;9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;46V85GPR8M;EINECS 233-723-7;AI3-07501;9-Octadecenoic acid, (Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;pentaerythritol mono-oleate;SCHEMBL145547;DTXSID30893109;QQVGEJLUEOSDBB-KTKRTIGZSA-N;9-Octadecenoic acid (Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;Q27258960;Oleic acid 2,2-bis(hydroxymethyl)-3-hydroxypropyl ester;3-hydroxy-2,2-bis(hydroxymethyl)propyl oleate, AldrichCPR;9-Octadecenoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propylester, (Z)-

Chemical Property of Pentaerythritol monooleate

Chemical Property:

• Vapor Pressure: 3.74E-13mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 523.6 °Cat760mmHg
• PKA: 13.51±0.10(Predicted)
• Flash Point: 165.5 °C
• PSA: 86.99000
• Density: 1.006g/cm³
• LogP: 4.53040
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 21
• Exact Mass: 400.31887450
• Heavy Atom Count: 28
• Complexity: 369

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
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO

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