Pentaerythritol allyl ether - ≥70% , CAS No.91648-24-7

CAS: 91648-24-7 Cat. No.: P171288 Formula: C(CH₂OCH₂CH=CH₂)_x(CH₂OH)_y Numero EC: 293-883-9

QUALITÀ & PUREZZA ≥70%

Synonyms

1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether|2,2-Bis(hydroxymethyl)-1,3-propanediolallylether|pentaerythritol monoallyl ether|2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol|Pentaerythritol allyl ether|Allyl pentaerythritol|1,3-Propanediol,2,2-bis(hydroxymethyl)-,allyl ether|2-(HYDROXYMETHYL)-2-[(PROP-2-EN-1-YLOXY)METHYL]PROPANE-1,3-DIOL|2,2-Bis(hydroxymethyl)-1,3-propanediol allyl ether|2-(Hydroxymethyl)-2-[(2-propen-1-yloxy)methyl]-1,3-propanediol|1,3-Propanediol, 2-(hydroxymethyl)-2-[(2-propen-1-yloxy)methyl]-

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether | 2,2-Bis(hydroxymethyl)-1,3-propanediolallylether | pentaerythritol monoallyl ether | 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol | Pentaerythritol allyl ether | Allyl pentaerythritol | 1,3-Propanediol,2,2-bis(hydroxymethyl)-,allyl ether | 2-(HYDROXYMETHYL)-2-[(PROP-2-EN- Mostra altro

Specifiche e purezza

≥70%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥70%

Nomi e identificatori

Pubchem Sid

504762455

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762455

Sorrisi canonici

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

Isomeri SMILES

C=CCOCC(CO)(CO)CO

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.465
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 100 °C
• Peso molecolare: 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