Cas no 37981-14-9 (3-Cyclohexene-1-carboxylicacid, butyl ester)

3-Cyclohexene-1-carboxylicacid, butyl ester structure
37981-14-9 structure
Product Name:3-Cyclohexene-1-carboxylicacid, butyl ester
CAS No:37981-14-9
MF:C11H18O2
MW:182.259423732758
MDL:MFCD23715432
CID:314196
PubChem ID:3015950
Update Time:2025-04-19

3-Cyclohexene-1-carboxylicacid, butyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexene-1-carboxylicacid, butyl ester
    • butyl cyclohex-3-ene-1-carboxylate
    • AI3-33541
    • AS-78289
    • 37981-14-9
    • SCHEMBL108178
    • 3-Cyclohexene-1-carboxylic acid, butyl ester
    • D93455
    • NS00056937
    • EINECS 253-737-7
    • DTXSID70958968
    • QEMXXENZTVUGPT-UHFFFAOYSA-N
    • MDL: MFCD23715432
    • Inchi: 1S/C11H18O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-5,10H,2-3,6-9H2,1H3
    • InChI Key: QEMXXENZTVUGPT-UHFFFAOYSA-N
    • SMILES: O(CCCC)C(C1CC=CCC1)=O

Computed Properties

  • Exact Mass: 182.13074
  • Monoisotopic Mass: 182.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 185
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.8

Experimental Properties

  • Density: 0.975
  • Boiling Point: 237.1°Cat760mmHg
  • Flash Point: 88.4°C
  • Refractive Index: 1.469
  • PSA: 26.3

3-Cyclohexene-1-carboxylicacid, butyl ester Pricemore >>

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