Glyceryl triundecanoate - ≥98% , CAS No.13552-80-2

CAS: 13552-80-2 Cat. No.: G302470 Molecular Weight: 596.92 EC Number: 236-935-8

GRADE & PURITY ≥98%

Synonyms

Triundecylin | EINECS 236-935-8 | 2,3-di(undecanoyloxy)propyl undecanoate | MLS000766203 | J2MUW96L2Z | LANOL 311 T | Undecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester | 3-02-00-00859 (Beilstein Handbook Reference) | 6-bromo-3-pyridine carboxylic acid |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Glyceryl triundecanoate has been used:
1.as a reference standard in high-performance liquid chromatography (HPLC) analysis to identify the hydrolysis products and lipolytic activity in human milk.
2.as an internal standard in gas chromatography analysis for total fat estimation.
3.as an internal standard for fatty acid analysis in vegetable and meat samples.

Specifications

Synonyms

Triundecylin | EINECS 236-935-8 | 2, 3-di(undecanoyloxy)propyl undecanoate | MLS000766203 | J2MUW96L2Z | LANOL 311 T | Undecanoic acid, 1, 1', 1''-(1, 2, 3-propanetriyl) ester | 3-02-00-00859 (Beilstein Handbook Reference) | 6-bromo-3-pyridine carboxylic acid |

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504755685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755685
• Canonical Smiles: CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC
• IUPAC Name: 2,3-di(undecanoyloxy)propyl undecanoate
• InChIKey: MBXVIRZWSHICAV-UHFFFAOYSA-N
• INCHI: 1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC
• WGK Germany: 3
• RTECS: YQ2581000
• Molecular Weight: 596.92
• Reaxy-Rn: 1810343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1810343&ln=

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: 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 596.900 g/mol
• XLogP3: 13.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 35
• Exact Mass: 596.502 Da
• Monoisotopic Mass: 596.502 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 584.000
• 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. Hongkai Xie, Hui Chen, Linrui Yuechen, Fengjiao Fan.  (2022)  Effects of Different Antioxidants of Bamboo Leaves Treatments on Lipid Oxidation of Scallop (Argopecten irradians) Adductor Muscle During Hot Air Drying.  Journal of Aquatic Food Product Technology,      [PMID:] [10.1080/10498850.2022.2119910]

2. Hongkai Xie, Chenlinrui Yue, Fengjiao Fan.  (2022)  Different tea polyphenol treatments on lipid oxidation of scallop (Argopecten irradians) adductor muscle during hot air drying.  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  46  (6): (e16534).  [PMID:] [10.1111/jfpp.16534]

3. Jing Ding, Yu Chen, Yuhui Zheng, Xiaoqing Mei, Yusheng Xu, Ziqi Xiao, Hongbin Lin, Zhenming Che, Wenwu Ding.  (2024)  Evaluation of physicochemical and flavor characteristics and primary on lipid oxidation of crucian carp under different cooking methods.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106775]

4. Xiaowei Peng, Chenhao Jiang, Xunyao Zhang, Huijing Chen, Jianquan kan.  (2025)  Quality deterioration of Huajiao (Zanthoxylum bungeanum) seed oil during autooxidation: non-targeted flavoromics and lipidomics analysis.  FOOD CHEMISTRY,      [PMID:40774215] [10.1016/j.foodchem.2025.145807]