Tricaprin - ≥95% , CAS No.621-71-6

CAS: 621-71-6 Cat. No.: T161979 Molecular Weight: 554.85 EC Number: 210-702-0 PubChem CID: 69310

GRADE & PURITY ≥95%

Synonyms

propane-1,2,3-triyl tris(decanoate) | Tridecanoin;Glycerol tricaprate | Glycerin tridecanoate | TRICAPRIN [INCI] | 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontan-1-ol,32-(4-(1,1,3,- 3-tetramethylbutyl)phenoxy)- | AKOS015899809 | Capric triglyceride | Deca

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

Specifications

Synonyms

propane-1, 2, 3-triyl tris(decanoate) | Tridecanoin;Glycerol tricaprate | Glycerin tridecanoate | TRICAPRIN [INCI] | 3, 6, 9, 12, 15, 18, 21, 24, 27, 30-Decaoxadotriacontan-1-ol, 32-(4-(1, 1, 3, - 3-tetramethylbutyl)phenoxy)- | AKOS015899809 | Capric triglyceride | Deca

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504754364
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754364
• Canonical Smiles: CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
• IUPAC Name: 2,3-di(decanoyloxy)propyl decanoate
• InChIKey: LADGBHLMCUINGV-UHFFFAOYSA-N
• INCHI: 1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
• Isomeric SMILES: CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
• WGK Germany: 1
• RTECS: HE0100000
• PubChem CID: 69310
• Molecular Weight: 554.85
• Reaxy-Rn: 1717683

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

• Solubility: Soluble in Alcohol,Benzene,Ether
• Sensitivity: heat sensitive
• Boil Point(°C): 254 °C/5 mmHg
• Melt Point(°C): 32 °C
• Molecular Weight: 554.800 g/mol
• XLogP3: 12.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 32
• Exact Mass: 554.455 Da
• Monoisotopic Mass: 554.455 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 543.000
• 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. Yao Zuo, Hongwen Li, Xiaochao Wang, Yejin Liang, Caihong Huang, Guanye Nai, Jingrong Ruan, Wenzheng Dong, Xiang Lu.  (2024)  Inhibition of JAK/STAT3 Expression by Acute Myeloid Leukemia-Targeted Nanoliposome for Chemotherapy Enhancement.  ACS Omega,      [PMID:39281932] [10.1021/acsomega.4c00710]