2,2'-Bis(hydroxymethyl)diphenyl Ether - ≥98%(GC) , CAS No.10038-40-1

CAS: 10038-40-1 Cat. No.: B153213 Summenformel: C₁₄H₁₄O₃ Molekulargewicht: 230.26

GRADE & PURITY ≥98%(GC)

Synonyms

AS-59821 | 2,2'-oxybis(2,1-phenylene)dimethanol | 2,2'-Oxydi(benzyl Alcohol) | SCHEMBL5950358 | Benzenemethanol, 2,2'-oxybis- | VRVKKKKXKVCPEW-UHFFFAOYSA-N | Benzenemethanol,2,2'-oxybis- | DTXSID30346342 | [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol | AK

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AS-59821 | 2,2'-oxybis(2,1-phenylene)dimethanol | 2,2'-Oxydi(benzyl Alcohol) | SCHEMBL5950358 | Benzenemethanol, 2,2'-oxybis- | VRVKKKKXKVCPEW-UHFFFAOYSA-N | Benzenemethanol,2,2'-oxybis- | DTXSID30346342 | [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol | AK

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488190722

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190722

Kanonisches Lächeln

C1=CC=C(C(=C1)CO)OC2=CC=CC=C2CO

IUPAC Name

[2-[2-(hydroxymethyl)phenoxy]phenyl]methanol

InChIKey

VRVKKKKXKVCPEW-UHFFFAOYSA-N

INCHI

1S/C14H14O3/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2

Isomere SMILES

C1=CC=C(C(=C1)CO)OC2=CC=CC=C2CO

Molekulargewicht

230.26

Reaxy-Rn

2279791

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2279791&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzyl alcohols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzyl alcohol - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

• Schmelzpunkt (°C): 99 °C
• Molekulargewicht: 230.260 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.094 Da
• Monoisotopic Mass: 230.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 198.000
• 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