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

CAS: 20411-31-8 Cat. No.: T476924 分子式: HOCH(CH₂OCH₂CHOHCH₂OH)₂ 分子量: 240.25 Beilstein Registry Number: 1724207 EC番号: 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

概要

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

同義語

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

仕様と純度

technical grade, ≥60%(HPLC)

保管条件

Room temperature

等級

工業用グレード

純度

≥60%(HPLC)

名前と識別子

• パブケム・シド: 504756097
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504756097
• カノニカル・スマイル: 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
• 異性体SMILES: C(C(COCC(COCC(CO)O)O)O)O
• WGKドイツ: 3
• 代替CAS番号: 56090-54-1
• PubChem CID: 92007
• 分子量: 240.25
• Beilstein: 1724207

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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