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

CAS: 13552-80-2 Cat. No.: G302470 Peso molecular: 596.92 Número EC: 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

Descripción general

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

Sinónimos

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 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755685
• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC
• WGK Alemania: 3
• RTECS: YQ2581000
• Peso molecular: 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
    • Clase Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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

Referencias

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]