Diethylene Glycol Monophenyl Ether - ≥98%(GC) , CAS No.104-68-7

CAS: 104-68-7 Cat. No.: D154350 Formula: C₁₀H₁₄O₃ Molecular Weight: 182.22 EC Number: 203-227-5

GRADE & PURITY ≥98%(GC)

Synonyms

phenyl diglycol|ETHANOL, 2-(2-PHENOXYETHOXY)-|Fenylkarbitol [Czech]|2-(2-phenoxyethoxy)ethan-1-ol|Phenyl carbitol|2-(2-Phenoxyethoxy)ethanol|Diethylene glycol phenyl ether|Ethanol,2-(2-phenoxyethoxy)-|PHENYL DI GLYCOL|Diethylene glycolphenyl ether|diethyleneglycol monophenyl ether|Phenoxydiglycol|Diethylene glycol monophenyl ether

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

phenyl diglycol | ETHANOL, 2-(2-PHENOXYETHOXY)- | Fenylkarbitol [Czech] | 2-(2-phenoxyethoxy)ethan-1-ol | Phenyl carbitol | 2-(2-Phenoxyethoxy)ethanol | Diethylene glycol phenyl ether | Ethanol,2-(2-phenoxyethoxy)- | PHENYL DI GLYCOL | Diethylene glycolphenyl ether | diethyleneglycol monophenyl ether | Phenoxydiglycol | Diethylene glycol Show more

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488180536

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180536

Canonical Smiles

C1=CC=C(C=C1)OCCOCCO

IUPAC Name

2-(2-phenoxyethoxy)ethanol

InChIKey

ZUAURMBNZUCEAF-UHFFFAOYSA-N

INCHI

1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2

Isomeric SMILES

C1=CC=C(C=C1)OCCOCCO

RTECS

KM0875000

Molecular Weight

182.22

Reaxy-Rn

2093125

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093125&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Dialkyl 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

Chemical and Physical Properties

• Refractive Index: 1.52
• Flash Point(°C): 141 °C
• Boil Point(°C): 298°C
• Molecular Weight: 182.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 111.000
• 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