Poly(ethylene glycol) (18) tridecyl ether - n=18, tridecyl ether group is a mixture of C₁₁ to C₁₄ iso-alkyl ethers with C₁₃ iso-alkyl predominating , CAS No.24938-91-8

CAS: 24938-91-8 Cat. No.: P475526 EC Number: 607-463-3 PubChem CID: 38049

GRADE & PURITY n=18, tridecyl ether group is a mixture of C₁₁ to C₁₄ iso-alkyl ethers with C₁₃ iso-alkyl predominating

Synonyms

2-(Tridecyloxy)ethan-1-ol | OJDDJQYSKDIXOE-UHFFFAOYSA-N | Ethanol, 2-(tridecyloxy)- | EINECS 253-962-0 | UNII-36KKG1IWMU | ETHYLENE GLYCOL MONOTRIDECYL ETHER | 2-(1-tridecyloxy)-1-ethanol | 2-n-tridecyloxyethanol | SCHEMBL16291 | POE (10) Tridecyl alcohol

Storage

Room temperature

Specifications

Synonyms

2-(Tridecyloxy)ethan-1-ol | OJDDJQYSKDIXOE-UHFFFAOYSA-N | Ethanol, 2-(tridecyloxy)- | EINECS 253-962-0 | UNII-36KKG1IWMU | ETHYLENE GLYCOL MONOTRIDECYL ETHER | 2-(1-tridecyloxy)-1-ethanol | 2-n-tridecyloxyethanol | SCHEMBL16291 | POE (10) Tridecyl alcohol

Specifications & Purity

n=18, tridecyl ether group is a mixture of C₁₁ to C₁₄ iso-alkyl ethers with C₁₃ iso-alkyl predominating

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCOCCO
• IUPAC Name: 2-tridecoxyethanol
• InChIKey: OJDDJQYSKDIXOE-UHFFFAOYSA-N
• INCHI: 1S/C15H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16/h16H,2-15H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCOCCO
• PubChem CID: 38049

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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - 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

• Solubility: water, isopropanol: 1wt. % at25°C
• Molecular Weight: 244.410 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 244.24 Da
• Monoisotopic Mass: 244.24 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 126.000
• 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