1,3-Bis(2-hydroxyethoxy)benzene - ≥98%(GC) , CAS No.102-40-9

CAS: 102-40-9 Cat. No.: B151937 Fórmula: C₁₀H₁₄O₄ Peso molecular: 198.22 Beilstein Registry Number: 6(3)4317 Número EC: 203-028-3

GRADE & PURITY ≥98%(GC)

Synonyms

2-[3-(2-Hydroxyethoxy)phenoxy]ethanol | CAS-102-40-9 | m-Bis(2-hydroxyethoxy)benzene | 2,2'-(BENZENE-1,3-DIYLBIS(OXY))DIETHANOL | DTXSID7044502 | NCIOpen2_000309 | W-108873 | 1,3-DIHYDROXYBENZENE BIS(2-HYDROXYETHYL) ETHER | IAXFZZHBFXRZMT-UHFFFAOYSA- | E8

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-[3-(2-Hydroxyethoxy)phenoxy]ethanol | CAS-102-40-9 | m-Bis(2-hydroxyethoxy)benzene | 2,2'-(BENZENE-1,3-DIYLBIS(OXY))DIETHANOL | DTXSID7044502 | NCIOpen2_000309 | W-108873 | 1,3-DIHYDROXYBENZENE BIS(2-HYDROXYETHYL) ETHER | IAXFZZHBFXRZMT-UHFFFAOYSA- | E8

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488183869

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183869

Sonrisas canónicas

C1=CC(=CC(=C1)OCCO)OCCO

IUPAC Name

2-[3-(2-hydroxyethoxy)phenoxy]ethanol

InChIKey

IAXFZZHBFXRZMT-UHFFFAOYSA-N

INCHI

1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2

Isómeros SMILES

C1=CC(=CC(=C1)OCCO)OCCO

Peso molecular

198.22

Beilstein

6(3)4317

Reaxy-Rn

2049386

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049386&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Solubilidad: Slightly soluble in water; Degree of Solubility in water: 19 g/l 25 °C; Soluble in Methanol
• Punto de ebullición (°C): 234°C/30mmHg(lit.)
• Punto de fusión (°C): 90 °C
• Peso molecular: 198.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 198.089 Da
• Monoisotopic Mass: 198.089 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 126.000
• 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