Trimyristin - 2mM in DMSO , CAS No.555-45-3

CAS: 555-45-3 Cat. No.: T424727 Molecular Weight: 723.18 Beilstein Registry Number: 1718240 EC Number: 209-099-7 PubChem CID: 11148

GRADE & PURITY 2mM in DMSO

Synonyms

1,2,3-Propanetriol tritetradecanoate | Myristin, tri- | s9209 | TRIMYRISTIN (II) | VP 114 | 1-Myristoyl-2-myristoyl-3-myristoyl-glycerol | MFCD00036229 | Myristic acid triglyceride | NSC 4062 | CHEBI:77391 | Glyceryl tritetradecanoate | TAG(42:0) | UNII-1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

application：

It can be used for the preparation of solid lipid nanoparticles (SLN) composed of trimyristin (solid lipid) and poloxamer 407 (surfactant). It is also used as a synthesis reagent and as an emollient, refatting agent, skin conditioning agent, solvents and viscosity controlling agents.

Specifications

Synonyms

1, 2, 3-Propanetriol tritetradecanoate | Myristin, tri- | s9209 | TRIMYRISTIN (II) | VP 114 | 1-Myristoyl-2-myristoyl-3-myristoyl-glycerol | MFCD00036229 | Myristic acid triglyceride | NSC 4062 | CHEBI:77391 | Glyceryl tritetradecanoate | TAG(42:0) | UNII-1

Specifications & Purity

2mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
• IUPAC Name: 2,3-di(tetradecanoyloxy)propyl tetradecanoate
• InChIKey: DUXYWXYOBMKGIN-UHFFFAOYSA-N
• INCHI: 1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
• WGK Germany: 1
• PubChem CID: 11148
• Molecular Weight: 723.18
• Beilstein: 1718240
• Reaxy-Rn: 1718242

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Triradylcglycerols

• 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: Triacylglycerols

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 55.0 to 60.0 °C
• Molecular Weight: 723.200 g/mol
• XLogP3: 18.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 44
• Exact Mass: 722.642 Da
• Monoisotopic Mass: 722.642 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 711.000
• 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

References

1. Jing-Jing Zhang, Yan Gao, Mei-Ling Zhao, Xiao Xu, Bo-Nan Xi, Li-Ke Lin, Jing-Yi Zheng, Bang Chen, Yu Shu, Cong Li, Yehua Shen.  (2023)  Detection of walnut oil adulterated with high-linoleic acid vegetable oils using triacylglycerol pseudotargeted method based on SFC-QTOF-MS.  FOOD CHEMISTRY,      [PMID:36905710] [10.1016/j.foodchem.2023.135837]