Triethylene Glycol Mono(2-propynyl) Ether - ≥96%(GC) , CAS No.208827-90-1

CAS: 208827-90-1 Cat. No.: T162745 Molecular Weight: 188.22 EC Number: 846-686-2 PubChem CID: 11506589

GRADE & PURITY ≥96%(GC)

Synonyms

AB69525 | SB76607 | SCHEMBL40148 | YSSJ3641 | AMY4516 | BCP27024 | CXJWUJYYDLYCCQ-UHFFFAOYSA-N | TriethyleneGlycolMono(2-propynyl)Ether | ZB0920 | 2-(2-(2-(PROP-2-YNYLOXY)ETHOXY)ETHOXY)ETHANOL | 2-[2-(2-propargyloxyethoxy)ethoxy]ethanol | Propargyl-PEG3-O

Storage

Room temperature

Shipped In

Normal

Application

227,228,229

Specifications

Synonyms

AB69525 | SB76607 | SCHEMBL40148 | YSSJ3641 | AMY4516 | BCP27024 | CXJWUJYYDLYCCQ-UHFFFAOYSA-N | TriethyleneGlycolMono(2-propynyl)Ether | ZB0920 | 2-(2-(2-(PROP-2-YNYLOXY)ETHOXY)ETHOXY)ETHANOL | 2-[2-(2-propargyloxyethoxy)ethoxy]ethanol | Propargyl-PEG3-O

Specifications & Purity

≥96%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 488197564
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197564
• Canonical Smiles: C#CCOCCOCCOCCO
• IUPAC Name: 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
• InChIKey: CXJWUJYYDLYCCQ-UHFFFAOYSA-N
• INCHI: 1S/C9H16O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1,10H,3-9H2
• Isomeric SMILES: C#CCOCCOCCOCCO
• PubChem CID: 11506589
• Molecular Weight: 188.22
• Reaxy-Rn: 9392712

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Acetylides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Acetylide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

• Refractive Index: 1.46
• Flash Point(°C): 122 °C
• Molecular Weight: 188.220 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 188.105 Da
• Monoisotopic Mass: 188.105 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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

References

1. Dahua Li, Yuzhi Xing, Lan Ding, Chengfeng Wu, Guangliang Hou, Bo Song.  (2018)  Tuning the emission of a water-soluble 3-hydroxyflavone derivative by host–guest complexation.  Soft Matter,  14  (21): (4231-4237).  [PMID:29624193] [10.1039/C8SM00349A]