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Triethylene glycol dimethyl ether - 99%,contains 0.01% BHT as stabilizer, high purity , CAS No.112-49-2
Basic Description
Synonyms
1,2-Bis(2-methoxyethoxy)ethane | 2,5,8,11-TETRAOXADODECANE | Triglyme | NSC 66400 | Dimethyltriglycol
Specifications & Purity
≥99%, Containing 0.01% BHT stabilizer
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
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
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
polyether
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504751621
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751621
IUPAC Name
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
INCHI
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
InChIKey
YFNKIDBQEZZDLK-UHFFFAOYSA-N
Smiles
COCCOCCOCCOC
Isomeric SMILES
COCCOCCOCCOC
WGK Germany
3
RTECS
XF0665000
PubChem CID
8189
Molecular Weight
178.23
Beilstein
1700630
Reaxy-Rn
1700630
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Miscible with water, chloroform and methanol
Sensitivity
Hygroscopic ;Air sensitive
Refractive Index
1.422-1.424
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Boil Point(°C)
216°C
Melt Point(°C)
-45°C
Molecular Weight
178.230 g/mol
XLogP3
-0.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
178.121 Da
Monoisotopic Mass
178.121 Da
Topological Polar Surface Area
36.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
67.500
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
Citations of This Product
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