Ethylene Glycol Monoallyl Ether - ≥98%(GC) , CAS No.111-45-5

CAS: 111-45-5 Cat. No.: E156080 Formule: C₅H₁₀O₂ Poids moléculaire: 102.13 Beilstein Registry Number: 1(4)2388 Numéro CE: 203-871-7

GRADE & PURITY ≥98%(GC)

Synonyms

BS-42686 | Ethylene glycol monoallyl ether | Ethylene glycol allyl ether | DTXSID0059401 | NSC 32614 | Poly(oxy-1,2-ethanediyl), a-2-propenyl-w-hydroxy- | E0326 | USAF DO-47 | 2-Allyloxyethanol, 98% | Ethanol, 2-(2-propen-1-yloxy)- | E77020 | 2-(2-Propeny

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

BS-42686 | Ethylene glycol monoallyl ether | Ethylene glycol allyl ether | DTXSID0059401 | NSC 32614 | Poly(oxy-1,2-ethanediyl), a-2-propenyl-w-hydroxy- | E0326 | USAF DO-47 | 2-Allyloxyethanol, 98% | Ethanol, 2-(2-propen-1-yloxy)- | E77020 | 2-(2-Propeny

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488180698

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180698

Sourires canoniques

C=CCOCCO

IUPAC Name

2-prop-2-enoxyethanol

InChIKey

GCYHRYNSUGLLMA-UHFFFAOYSA-N

INCHI

1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2

Isomères SMILES

C=CCOCCO

RTECS

KJ5425000

Poids moléculaire

102.13

Beilstein

1(4)2388

Reaxy-Rn

1742145

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742145&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Solubilité: Solubility in water: Completely miscible
• Indice de réfraction: 1.436
• Point d'éclair (°C): 60 °C
• Point d'ébullition (°C): 159℃
• Poids moléculaire: 102.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 43.300
• 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