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

CAS: 112-34-5 Cat. No.: B110648 분자식: C₈H₁₈O₃ 분자량: 162.23 Beilstein Registry Number: 1739225 EC 번호: 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

동의어

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

사양 및 순도

Standard for GC, ≥99.5%(GC)

보관 조건

Room temperature,Desiccated

배송

Normal

등급

Standard for GC

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

528769564

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCCOCCOCCO

WGK 독일

1

RTECS

KJ9100000

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water and oils, easily soluble in alcohols and ethers.
• 굴절률: 1.4258
• 발화점(°F): 210.2 °F
• 발화점(°C): 100℃
• 끓는점(°C): 230.4°C
• 녹는점(°C): -68.1°C
• 분자량: 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