Éter alílico de pentaeritritol - ≥70% , CAS No.91648-24-7

CAS: 91648-24-7 Cat. No.: P171288 Número EC: 293-883-9

GRADE & PURITY ≥70%

Synonyms

1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether | SCHEMBL109961 | RFIMISVNSAUMBU-UHFFFAOYSA-N | 2,2-Bis(hydroxymethyl)-1,3-propanediolallylether | CK2HWY232G | pentaerythritol monoallyl ether | UNII-8S4V89348V | 8S4V89348V | 2-(hydroxymethyl)-2-(pro

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

1, 3-Propanediol, 2, 2-bis(hydroxymethyl)-, allyl ether | SCHEMBL109961 | RFIMISVNSAUMBU-UHFFFAOYSA-N | 2, 2-Bis(hydroxymethyl)-1, 3-propanediolallylether | CK2HWY232G | pentaerythritol monoallyl ether | UNII-8S4V89348V | 8S4V89348V | 2-(hydroxymethyl)-2-(pro

Especificaciones y pureza

≥70%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥70%

Nombres e identificadores

• Pubchem Sid: 504762455
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762455
• Sonrisas canónicas: C=CCOCC(CO)(CO)CO
• IUPAC Name: 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
• InChIKey: RFIMISVNSAUMBU-UHFFFAOYSA-N
• INCHI: 1S/C8H16O4/c1-2-3-12-7-8(4-9,5-10)6-11/h2,9-11H,1,3-7H2
• Isómeros SMILES: C=CCOCC(CO)(CO)CO

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

• Índice de refracción: n20/D 1.465
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 100 °C
• Peso molecular: 176.210 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 176.105 Da
• Monoisotopic Mass: 176.105 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 112.000
• 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. Lingyin Lin, Runxing Lin, Xufeng Li, Yanfang Zhou, Xiaotian Zhao, Wanqiu Huang, Qiuxia Li, Yugang Huang, He Wang, Guodong Ye.  (2024)  A study of poly(pentaerythritol triallyl ether) embolic granules with medium swelling properties using for vascular embolizations against hepatocellar carcinoma.  JOURNAL OF POLYMER SCIENCE,      [PMID:] [10.1002/pol.20240023]