Triethylene glycol dimethyl ether - ≥99%, Containing 0.01% BHT stabilizer , CAS No.112-49-2

CAS: 112-49-2 Cat. No.: T100632 Molecular Weight: 178.23 Beilstein Registry Number: 1700630 EC Number: 203-977-3 PubChem CID: 8189

GRADE & PURITY ≥99%, Containing 0.01% BHT stabilizer

Synonyms

1,2-Bis(2-methoxyethoxy)ethane | 2,5,8,11-TETRAOXADODECANE | Triglyme | NSC 66400 | Dimethyltriglycol

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

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

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751621
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751621
• Canonical Smiles: COCCOCCOCCOC
• IUPAC Name: 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
• InChIKey: YFNKIDBQEZZDLK-UHFFFAOYSA-N
• INCHI: 1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
• Isomeric SMILES: COCCOCCOCCOC
• WGK Germany: 3
• RTECS: XF0665000
• PubChem CID: 8189
• Molecular Weight: 178.23
• Beilstein: 1700630
• Reaxy-Rn: 1700630

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: 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

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