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

CAS: 102-40-9 Cat. No.: B151937 Formule: C₁₀H₁₄O₄ Poids moléculaire: 198.22 Beilstein Registry Number: 6(3)4317 Numéro CE: 203-028-3

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488183869

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water; Degree of Solubility in water: 19 g/l 25 °C; Soluble in Methanol
• Point d'ébullition (°C): 234°C/30mmHg(lit.)
• Point de fusion (°C): 90 °C
• Poids moléculaire: 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