9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-

Base Information

• Chemical Name: 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-
• CAS No.: 78-22-8
• Molecular Formula: C23H44O6
• Molecular Weight: 416.5919
• European Community (EC) Number: 201-095-3
• DSSTox Substance ID: DTXSID90883223
• Wikidata: Q82862330

Synonyms:9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-;78-22-8;pentaerythritol monoricinoleate;SCHEMBL1844120;DTXSID90883223

Chemical Property of 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-

Chemical Property:

• Vapor Pressure: 4.98E-15mmHg at 25°C
• Boiling Point: 563.2°C at 760 mmHg
• Flash Point: 180.4°C
• Density: 1.052g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 416.31378912
• Heavy Atom Count: 29
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)(CO)CO)O
• Isomeric SMILES: CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO)O

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