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

CAS: 112-34-5 Cat. No.: B110651 Formula: C₈H₁₈O₃ Molecular Weight: 162.23 Beilstein Registry Number: 1739225 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751615
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751615
• Canonical Smiles: 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
• Isomeric SMILES: CCCCOCCOCCO
• WGK Germany: 1
• RTECS: KJ9100000
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and oils, easily soluble in alcohols and ethers.
• Refractive Index: 1.4258
• Flash Point(°F): 210.2 °F
• Flash Point(°C): 100℃
• Boil Point(°C): 230.4°C
• Melt Point(°C): -68.1°C
• Molecular Weight: 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