2-(2-Butoxyethoxy)ethanol - ≥98% , CAS No.112-34-5

CAS: 112-34-5 Cat. No.: B110651 Formule: C₈H₁₈O₃ Poids moléculaire: 162.23 Beilstein Registry Number: 1739225 Numéro CE: 203-961-6

GRADE & PURITY ≥98%

Synonyms

BDG | NCGC00164235-03 | Tox21_202404 | Ethanol 2-butoxyethoxy | Diethylene glycol mono-n-butyl ether | WLN: Q2O2O4 | Diethylene glycol butyl ether, SAJ special grade, >=99.0% | diethyleneglycol n-butyl ether | Q1018210 | NCGC00164235-02 | HSDB 333 | Dieth

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

BDG | NCGC00164235-03 | Tox21_202404 | Ethanol 2-butoxyethoxy | Diethylene glycol mono-n-butyl ether | WLN: Q2O2O4 | Diethylene glycol butyl ether, SAJ special grade, >=99.0% | diethyleneglycol n-butyl ether | Q1018210 | NCGC00164235-02 | HSDB 333 | Dieth

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504751615
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751615
• Sourires canoniques: CCCCOCCOCCO
• IUPAC Name: 2-(2-butoxyethoxy)ethanol
• InChIKey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N
• INCHI: 1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
• Isomères SMILES: CCCCOCCOCCO
• WGK Allemagne: 1
• RTECS: KJ9100000
• Poids moléculaire: 162.23
• Beilstein: 1739225
• Reaxy-Rn: 1739225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739225&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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water and oils, easily soluble in alcohols and ethers.
• Indice de réfraction: 1.4258
• Point d'éclair (°F): 210.2 °F
• Point d'éclair (°C): 100℃
• Point d'ébullition (°C): 230.4°C
• Point de fusion (°C): -68.1°C
• Poids moléculaire: 162.230 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 162.126 Da
• Monoisotopic Mass: 162.126 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 66.400
• 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