Tripentaerythritol - technical grade , CAS No.78-24-0

CAS: 78-24-0 Cat. No.: T476912 Peso molecular: 372.41 Número EC: 201-097-4 PubChem CID: 66219

GRADE & PURITY Technical grade

Synonyms

2,2'-(((2,2-Bis(hydroxymethyl)propane-1,3-diyl)bis(oxy))bis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol) | 2,2-Bis((3-hydroxy-2,2-bis(hydroxymethyl)propoxy)methyl)-1,3-propanediol | NSC 97579 | EINECS 201-097-4 | FT-0739817 | 2,2'-{[2,2-Bis(hydroxyme

Storage

Room temperature

Specifications

Sinónimos

2, 2'-(((2, 2-Bis(hydroxymethyl)propane-1, 3-diyl)bis(oxy))bis(methylene))bis(2-(hydroxymethyl)propane-1, 3-diol) | 2, 2-Bis((3-hydroxy-2, 2-bis(hydroxymethyl)propoxy)methyl)-1, 3-propanediol | NSC 97579 | EINECS 201-097-4 | FT-0739817 | 2, 2'-{[2, 2-Bis(hydroxyme

Especificaciones y pureza

technical grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Technical grade

Nombres e identificadores

• Sonrisas canónicas: C(C(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO)O
• IUPAC Name: 2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
• InChIKey: PTJWCLYPVFJWMP-UHFFFAOYSA-N
• INCHI: 1S/C15H32O10/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21/h16-23H,1-12H2
• Isómeros SMILES: C(C(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO)O
• PubChem CID: 66219
• Peso molecular: 372.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

• Punto de fusión (°C): 225ºC
• Peso molecular: 372.410 g/mol
• XLogP3: -5.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 372.2 Da
• Monoisotopic Mass: 372.2 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 282.000
• 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. Quanyin Xu, Jiachen Li, Yueer Du, Wangyang Lu, Rongchun Zhang, Biao Zuo.  (2026)  Role of Chemical Tethering in Polymer Glass Formation.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.6c00128]