Pentaerythritol tristearate

Base Information

• Chemical Name: Pentaerythritol tristearate
• CAS No.: 28188-24-1
• Molecular Formula: C59H114 O7
• Molecular Weight: 935.53226
• Hs Code.: 2915900090
• European Community (EC) Number: 248-889-6
• UNII: L0001TQY25
• DSSTox Substance ID: DTXSID0027939
• Nikkaji Number: J106.167D
• Wikidata: Q27282527
• Mol file: 28188-24-1.mol

Synonyms:Pentaerythritol tristearate;28188-24-1;Pentaerythrityl tristearate;[2-(hydroxymethyl)-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propyl] octadecanoate;2-(HYDROXYMETHYL)-2-[[(1-OXOOCTADECYL)OXY]METHYL]PROPANE-1,3-DIYL DISTEARATE;L0001TQY25;Stearic acid, triester with pentaerythritol;Octadecanoic acid, 2-(hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl ester;2-(Hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)propane-1,3-diyl distearate;Octadecanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester;Octadecanoic acid, 1,1'-(2-(hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl) ester;UNII-L0001TQY25;Octadecanoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester;EINECS 248-889-6;EXTON K 1;SCHEMBL1394051;DTXSID0027939;FWCDLNRNBHJDQB-UHFFFAOYSA-N;PENTAERYTHRITOL, TRISTEARATE;NS00019890;W-110719;Q27282527

Chemical Property of Pentaerythritol tristearate

Chemical Property:

• Vapor Pressure: 2.08E-34mmHg at 25°C
• Boiling Point: 859.3°Cat760mmHg
• PKA: 13.68±0.10(Predicted)
• Flash Point: 213.6°C
• PSA: 99.13000
• Density: 0.925g/cm³
• LogP: 18.37920
• XLogP3: 24.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 58
• Exact Mass: 934.85645597
• Heavy Atom Count: 66
• Complexity: 893

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC

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