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

CAS: 112-34-5 Cat. No.: B110648 分子式: C₈H₁₈O₃ 分子量: 162.23 Beilstein Registry Number: 1739225 EC番号: 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

同義語

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

仕様と純度

Standard for GC, ≥99.5%(GC)

保管条件

Room temperature,Desiccated

入荷

Normal

等級

Standard for GC

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

528769564

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCOCCOCCO

WGKドイツ

1

RTECS

KJ9100000

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water and oils, easily soluble in alcohols and ethers.
• 屈折率: 1.4258
• 引火点（°F）: 210.2 °F
• 引火点（°C）: 100℃
• 沸点（°C）: 230.4°C
• 融点（°C）: -68.1°C
• 分子量: 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