Cas no 1551-44-6 (cyclohexyl butyrate)

cyclohexyl butyrate structure
cyclohexyl butyrate structure
Product Name:cyclohexyl butyrate
CAS No:1551-44-6
MF:C10H18O2
MW:170.248723506927
MDL:MFCD00046354
CID:83777
Update Time:2026-05-14

cyclohexyl butyrate Chemical and Physical Properties

Names and Identifiers

    • cyclohexyl butyrate
    • Cyclohexyl butyrate,(Butyric acid cyclohexyl ester)
    • Butyric acid cyclohexyl ester
    • cyclohexyl butanoate
    • MDL: MFCD00046354
    • Inchi: 1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
    • InChI Key: VZHUBBUZNIULNM-UHFFFAOYSA-N
    • SMILES: CCCC(=O)OC1CCCCC1
    • BRN: 2083414

Computed Properties

  • Exact Mass: 170.13100
  • Monoisotopic Mass: 170.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 137
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: Colorless or slightly yellow transparent liquid
  • Density: 0.943?g/mL?at 25?°C(lit.)
  • Boiling Point: 208°C(lit.)
  • Flash Point: 173?°F
  • Refractive Index: n20/D 1.4425(lit.)
  • PSA: 26.30000
  • LogP: 2.66240
  • FEMA: 2351 | CYCLOHEXYL BUTYRATE
  • Solubility: Soluble in ethanol and ether, almost insoluble in water

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