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

CAS: 20411-31-8 Cat. No.: T476924 Formule: HOCH(CH₂OCH₂CHOHCH₂OH)₂ Poids moléculaire: 240.25 Beilstein Registry Number: 1724207 Numéro CE: 683-396-3 PubChem CID: 92007

GRADE & PURITY 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

Vue d’ensemble

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.

Specifications

Synonymes

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

Spécifications et pureté

technical grade, ≥60%(HPLC)

Conditions de stockage de stockage

Room temperature

Grade

Qualité technique

Pureté

≥60%(HPLC)

Noms et identifiants

• Pubchem Sid: 504756097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756097
• Sourires canoniques: 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
• Isomères SMILES: C(C(COCC(COCC(CO)O)O)O)O
• WGK Allemagne: 3
• CAS alternatif: 56090-54-1
• PubChem CID: 92007
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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