Cas no 20442-11-9 (2-butoxyethyl nonan-1-oate)

2-butoxyethyl nonan-1-oate structure
2-butoxyethyl nonan-1-oate structure
Product Name:2-butoxyethyl nonan-1-oate
CAS No:20442-11-9
MF:C15H30O3
MW:258.396905422211
CID:909794
PubChem ID:88541
Update Time:2025-04-19

2-butoxyethyl nonan-1-oate Chemical and Physical Properties

Names and Identifiers

    • 2-butoxyethyl nonan-1-oate
    • 2-butoxyethyl nonanoate
    • Nonanoic acid, 2-butoxyethyl ester
    • 20442-11-9
    • Ethanol, 2-butoxy-, nonanoate
    • DTXSID0066614
    • 2-butoxyethyl pelargonate
    • NS00026630
    • 2LXE95V7DR
    • EINECS 243-825-3
    • Inchi： 1S/C15H30O3/c1-3-5-7-8-9-10-11-15(16)18-14-13-17-12-6-4-2/h3-14H2,1-2H3
    • InChI Key： XHYOMWNQYADXSZ-UHFFFAOYSA-N
    • SMILES： O(CCOCCCC)C(CCCCCCCC)=O

Computed Properties

  • Exact Mass: 258.2196
  • Monoisotopic Mass: 258.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 14
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

2-butoxyethyl nonan-1-oate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Pyridine ,  Piperidinium, 4-(acetylamino)-2,2,6,6-tetramethyl-1-oxo-, tetrafluoroborate(1-) … Solvents: Dichloromethane ;  4 h, rt
Reference
Oxoammonium Salt Oxidations of Alcohols in the Presence of Pyridine Bases
Bobbitt, James M.; et al, Journal of Organic Chemistry, 2014, 79(3), 1055-1067

2-butoxyethyl nonan-1-oate Raw materials

2-butoxyethyl nonan-1-oate Preparation Products

2-butoxyethyl nonan-1-oate Related Literature

20442-11-9 (2-butoxyethyl nonan-1-oate) Related Products

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