2-[2-(2-Chloroethoxy)ethoxy]ethanol - ≥96%(GC) , CAS No.5197-62-6

CAS: 5197-62-6 Cat. No.: C133890 Formula: C₆H₁₃ClO₃ Molecular Weight: 168.62 Beilstein Registry Number: 1(3)2105 EC Number: 225-984-0

GRADE & PURITY ≥96%(GC)

Synonyms

NSC2636 | EN300-134537 | AKOS006220767 | NSC 2636 | EINECS 225-984-0 | Ethanol, 2-(2-(2-chloroethoxy)ethoxy)- | MPA47W5DV5 | DTXSID30199936 | SCHEMBL315062 | Triethylene glycol monochlorohydrin | 2-[2-(2-Chloroethoxy)ethoxy]ethanol, 96% | MFCD02258625 | C

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

NSC2636 | EN300-134537 | AKOS006220767 | NSC 2636 | EINECS 225-984-0 | Ethanol, 2-(2-(2-chloroethoxy)ethoxy)- | MPA47W5DV5 | DTXSID30199936 | SCHEMBL315062 | Triethylene glycol monochlorohydrin | 2-[2-(2-Chloroethoxy)ethoxy]ethanol, 96% | MFCD02258625 | C

Specifications & Purity

≥96%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%(GC)

Names and Identifiers

Pubchem Sid

488185635

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185635

Canonical Smiles

C(COCCOCCCl)O

IUPAC Name

2-[2-(2-chloroethoxy)ethoxy]ethanol

InChIKey

KECMLGZOQMJIBM-UHFFFAOYSA-N

INCHI

1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2

Isomeric SMILES

C(COCCOCCCl)O

WGK Germany

3

Molecular Weight

168.62

Beilstein

1(3)2105

Reaxy-Rn

1739194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739194&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 Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

Chemical and Physical Properties

• Sensitivity: Air sensitive;Heat sensitive
• Refractive Index: 1.4560 to 1.4590
• Flash Point(°F): 224.6 °F
• Flash Point(°C): 107°C
• Boil Point(°C): 232°C
• Molecular Weight: 168.620 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 168.055 Da
• Monoisotopic Mass: 168.055 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 61.000
• 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