Diethylene glycol dibutyl ether - ≥99% , CAS No.112-73-2

CAS: 112-73-2 Cat. No.: D104427 분자식: C₁₂H₂₆O₃ 분자량: 218.33 Beilstein Registry Number: 1750713 EC 번호: 204-001-9

등급 & 순도 ≥99%

Synonyms

Diethylene glycol dibutyl ether, >=99% | Ether, bis(butoxyethyl) | NCGC00091264-02 | InChI=1/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H | UNII-F8P3DHG73Z | Butex | Dibutylether diethylenglykolu | DIETHYLENE GLYCOL DIBUTYL ETHER | SCHEMBL27

Storage

Room temperature

Shipped In

Normal

사양

동의어

Diethylene glycol dibutyl ether, >=99% | Ether, bis(butoxyethyl) | NCGC00091264-02 | InChI=1/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H | UNII-F8P3DHG73Z | Butex | Dibutylether diethylenglykolu | DIETHYLENE GLYCOL DIBUTYL ETHER | SCHEMBL27

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

504751629

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751629

정식 스마일

CCCCOCCOCCOCCCC

IUPAC Name

1-[2-(2-butoxyethoxy)ethoxy]butane

InChIKey

KZVBBTZJMSWGTK-UHFFFAOYSA-N

INCHI

1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3

이성체 SMILES

CCCCOCCOCCOCCCC

WGK 독일

3

RTECS

KN0350000

분자량

218.33

Beilstein

1750713

Reaxy-Rn

1750713

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750713&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: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - 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

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with dimethyl sulfoxide, ethanol and acetone. Immiscible with water.
• 굴절률: 1.424
• 발화점(°F): 244.4 °F
• 발화점(°C): 118 °C
• 끓는점(°C): 256°C
• 녹는점(°C): -60°C
• 분자량: 218.330 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 218.188 Da
• Monoisotopic Mass: 218.188 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 95.000
• 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