Trioctanoin-carboxyls-13C3

Base Information

• Chemical Name: Trioctanoin-carboxyls-13C3
• CAS No.: 65402-55-3
• Molecular Formula: C27H50 O6
• Molecular Weight: 473.71
• UNII: WW7TN04HRR
• DSSTox Substance ID: DTXSID10433305
• Nikkaji Number: J3.565.562J
• Wikidata: Q82247431
• Mol file: 65402-55-3.mol

Synonyms:65402-55-3;Trioctanoin-carboxyls-13C3;Glyceryl tri(octanoate-1-13C);1,2,3-Propanetriol tris(octanoate-1-13C);Tricaprylin, C-13;Trioctanoin, C-13;WW7TN04HRR;1,2,3-Propanetrioltris(1,1,1-13C3);2,3-di((113C)octanoyloxy)propyl (113C)octanoate;Octanoic-1-13c acid, 1,2,3-propanetriyl ester;Octanoic-1-13c acid, 1,1',1''-(1,2,3-propanetriyl) ester;Trioctanoin 13C3;UNII-WW7TN04HRR;DTXSID10433305;CS-BE-00047;AKOS040755637;1,2,3-Trioctanoyl-rac-glycerol-13C3;PD130907;J3.565.562J;Tris[(1-13C)octanoic acid]propane-1,2,3-triyl ester;Glyceryl tri(octanoate-1-13C), 99 atom % 13C, 98% (CP);Octanoic-1-13c acid,1,1',1''-(1,2,3-propanetriyl)ester

Chemical Property of Trioctanoin-carboxyls-13C3

Chemical Property:

• Refractive Index: n20/D 1.447(lit.)
• Flash Point: >230 °F
• PSA: 78.90000
• LogP: 7.06610
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 26
• Exact Mass: 473.37080382
• Heavy Atom Count: 33
• Complexity: 461

Purity/Quality:

98%min ^*data from raw suppliers

1,2,3-Trioctanoyl Glycerol-13C3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
• Isomeric SMILES: CCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCC)O[13C](=O)CCCCCCC
• Description: 1,2,3-Trioctanoyl glycerol-13C3 is intended for use as an internal standard for the quantification of 1,2,3-trioctanoyl glycerol by GC- or LC-MS. 1,2,3-Trioctanoyl glycerol is a triacylglycerol that contains octanoic acid at the sn-1, sn-2, and sn-3 positions. Dietary administration of 1,2,3-trioctanoyl glycerol increases hippocampal levels of the glycolytic metabolites glucose 6-phosphate, fructose 6-phosphate, and β-hydroxybutyrate and the seizure threshold in the 6 Hz psychomotor seizure test in mice. Formulations containing 1,2,3-trioctanoyl glycerol have been used in cosmetic products as thickening and skin-conditioning agents.

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