Triglycerol - technical grade, ≥60%(HPLC) , CAS No.20411-31-8

CAS: 20411-31-8 Cat. No.: T476924 Fórmula: HOCH(CH₂OCH₂CHOHCH₂OH)₂ Peso molecular: 240.25 Beilstein Registry Number: 1724207 Número CE: 683-396-3 PubChem CID: 92007

GRAU & PUREZA Technical grade, ≥60%(HPLC)

Synonyms

POLYCAST-3 | 3-[3-(2,3-dihydroxypropoxy)-2-hydroxy-propoxy]propane-1,2-diol | 3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol | EINECS 259-986-8 | AKOS027326633 | J-013292 | POLYGLYCEROL-3 | Triglycerol | 1,3-Bis(2,3-dihydroxypropyl)-2-propa

Storage

Room temperature

Visão geral

Description

Triglycerol was used in the synthesis of (poly)glycerol monoethers. It was also used to enhance the chromatographic behavior of the pesticides in tea matrices.

Especificações

Sinónimos

POLYCAST-3 | 3-[3-(2,3-dihydroxypropoxy)-2-hydroxy-propoxy]propane-1,2-diol | 3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol | EINECS 259-986-8 | AKOS027326633 | J-013292 | POLYGLYCEROL-3 | Triglycerol | 1,3-Bis(2,3-dihydroxypropyl)-2-propa

Especificações e pureza

technical grade, ≥60%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Grau

Technical grade

Pureza

≥60%(HPLC)

Nomes e identificadores

Pubchem Sid

504756097

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756097

Sorrisos canónicos

C(C(COCC(COCC(CO)O)O)O)O

IUPAC Name

3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

InChIKey

AGNTUZCMJBTHOG-UHFFFAOYSA-N

INCHI

1S/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2

SMILES isoméricas

C(C(COCC(COCC(CO)O)O)O)O

WGK Alemanha

3

CAS alternativo

56090-54-1

PubChem CID

92007

Peso molecular

240.25

Beilstein

1724207

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Glycerolipids
      • Subclass Diradylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Glycerolipids
• Subclass: Diradylglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylglycerols
• Alternative Parents: 1-O-alkylglycerols Glycerol ethers Secondary alcohols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylglycerol - Monoalkylglycerol - 1-o-alkylglycerol - Monoradylglycerol - Glycerol ether - Secondary alcohol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ether 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

Propriedades químicas e físicas

• Peso molecular: 240.250 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 240.121 Da
• Monoisotopic Mass: 240.121 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1