2-(2-Butoxyethoxy)ethanol - Standard for GC, ≥99.5%(GC) , CAS No.112-34-5

CAS: 112-34-5 Cat. No.: B110648 Summenformel: C₈H₁₈O₃ Molekulargewicht: 162.23 Beilstein Registry Number: 1739225 EG-Nummer: 203-961-6

GRADE & PURITY Standard for GC, ≥99.5%(GC)

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

Synonyme

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

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Storage

Room temperature,Desiccated

Verschickt in

Normal

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

528769564

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769564

Kanonisches Lächeln

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

Isomere SMILES

CCCCOCCOCCO

WGK Deutschland

1

RTECS

KJ9100000

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water and oils, easily soluble in alcohols and ethers.
• Brechungsindex: 1.4258
• Flammpunkt (°F): 210.2 °F
• Flammpunkt (°C): 100℃
• Siedepunkt (°C): 230.4°C
• Schmelzpunkt (°C): -68.1°C
• Molekulargewicht: 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