Triethylene Glycol Monododecyl Ether - ≥95%(GC) , CAS No.3055-94-5

CAS: 3055-94-5 Cat. No.: T161762 Molecular Weight: 318.5 EC Number: 221-280-2 PubChem CID: 76458

GRADE & PURITY ≥95%(GC)

Synonyms

Lauryl triethoxylate | 2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol | CL15H93XTM | (2S)-2-acetamido-3-methyl-3-sulfanylbutanoic acid | SCHEMBL61079 | TRIETHYLENE GLYCOL MONO-N-DODECYL ETHER | triethyleneglycol monolauryl ether | 4,6-Dichloropyrimidin-2-ylami

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Lauryl triethoxylate | 2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol | CL15H93XTM | (2S)-2-acetamido-3-methyl-3-sulfanylbutanoic acid | SCHEMBL61079 | TRIETHYLENE GLYCOL MONO-N-DODECYL ETHER | triethyleneglycol monolauryl ether | 4, 6-Dichloropyrimidin-2-ylami

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488185270
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185270
• Canonical Smiles: CCCCCCCCCCCCOCCOCCOCCO
• IUPAC Name: 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol
• InChIKey: FKMHSNTVILORFA-UHFFFAOYSA-N
• INCHI: 1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCOCCOCCOCCO
• PubChem CID: 76458
• Molecular Weight: 318.5
• Reaxy-Rn: 1779029

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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.45
• Melt Point(°C): 16 °C
• Molecular Weight: 318.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 318.277 Da
• Monoisotopic Mass: 318.277 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 188.000
• 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. Junjie Deng, Weide Xu, Siyun Lei, Wanyu Li, Qinghua Li, Kaiqiang Li, Jianxin Lyu, Jilong Wang, Zhen Wang.  (2022)  Activated Natural Killer Cells-Dependent Dendritic Cells Recruitment and Maturation by Responsive Nanogels for Targeting Pancreatic Cancer Immunotherapy.  Small,  18  (44): (2203114).  [PMID:36148846] [10.1002/smll.202203114]

2. Weide Xu, Jilong Wang, Qinghua Li, Chenghu Wu, Lingling Wu, Kaiqiang Li, Qin Li, Qing Han, Jingjing Zhu, Yongheng Bai, Junjie Deng, Jianxin Lyu, Zhen Wang.  (2021)  Cancer cell membrane-coated nanogels as a redox/pH dual-responsive drug carrier for tumor-targeted therapy.  Journal of Materials Chemistry B,  9  (38): (8031-8037).  [PMID:34486010] [10.1039/D1TB00788B]