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Glyceryl trinonanoate - 98%, high purity , CAS No.126-53-4
Basic Description
Synonyms
Propane-1,2,3-triyl trinonan-1-oate | Tripelargonin | propane-1,2,3-triyl trinonanoate | 1,2,3-Trinonanoylglycerol, 1,2,3-Tripelargonoylglycerol, Glycerol trinonanoate, Glycerol tripelargonate, Trinonanoin | DTXSID50155039 | TRIPELARGONIN [INCI] | UNII-7Q
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Glycerolipids
Subclass
Triradylcglycerols
Intermediate Tree Nodes
Not available
Direct Parent
Triacylglycerols
Alternative Parents
Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,3-di(nonanoyloxy)propyl nonanoate
INCHI
InChI=1S/C30H56O6/c1-4-7-10-13-16-19-22-28(31)34-25-27(36-30(33)24-21-18-15-12-9-6-3)26-35-29(32)23-20-17-14-11-8-5-2/h27H,4-26H2,1-3H3
InChIKey
YRIMSXJXBHUHJT-UHFFFAOYSA-N
Smiles
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC
Isomeric SMILES
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC
WGK Germany
3
Molecular Weight
512.76
Reaxy-Rn
1809503
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1809503&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.449
Melt Point(°C)
8-9° C
Molecular Weight
512.799 g/mol
XLogP3
10.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
29
Exact Mass
512.408 Da
Monoisotopic Mass
512.408 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
502.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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