Cas no 32579-81-0 (Methyl 3-ethylhexanoate)

Methyl 3-ethylhexanoate structure
Methyl 3-ethylhexanoate structure
Product Name:Methyl 3-ethylhexanoate
CAS No:32579-81-0
MF:C9H18O2
MW:158.238023281097
MDL:MFCD32670660
CID:2947476
PubChem ID:537922
Update Time:2025-09-21

Methyl 3-ethylhexanoate Chemical and Physical Properties

Names and Identifiers

    • AS-77710
    • 32579-81-0
    • Methyl 3-ethylhexanoate #
    • Methyl 3-ethylhexanoate
    • D94272
    • XWOBLXFYSMSMRW-UHFFFAOYSA-N
    • Hexanoic acid, 3-ethyl-, methyl ester
    • MFCD32670660
    • MDL: MFCD32670660
    • Inchi: 1S/C9H18O2/c1-4-6-8(5-2)7-9(10)11-3/h8H,4-7H2,1-3H3
    • InChI Key: XWOBLXFYSMSMRW-UHFFFAOYSA-N
    • SMILES: O(C)C(CC(CC)CCC)=O

Computed Properties

  • Exact Mass: 158.130679813g/mol
  • Monoisotopic Mass: 158.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 26.3?2

Methyl 3-ethylhexanoate Pricemore >>

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