Substance Profile

benzoic acid 1-methyl-butyl ester

  • Molecular Formula: C12H16O2
  • Element System: C-H-O
  • CAS-RN: 39180-02-4
  • InChI: InChI=1S/C12H16O2/c1-3-7-10(2)14-12(13)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
  • InChI Key: COTNRKBHSLVYBC-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 192.2572
  • Calculated Log P: 3.706
  • Rotatable Bonds: 7
  • H Acceptors: 1
  • H Donators: 0
  • Reactions having this substance as a reactant: 2
  • Reactions having this substance as a product: 2
  • Journal articles containing this substance: 4
  • Patents containing this substance:
  • Other publications containing this substance: 1
  • Suppliers:

Data from SPRESIweb

3D Interactive Structure