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

CAS: 91648-24-7 Cat. No.: P171288 Summenformel: C(CH₂OCH₂CH=CH₂)_x(CH₂OH)_y EG-Nummer: 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

Room temperature

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥70%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥70%

Namen und Kennungen

Pubchem Sid

504762455

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C=CCOCC(CO)(CO)CO

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.465
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 100 °C
• Molekulargewicht: 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