Substance Profile

benzoic acid 3-methylbutyl ester

  • Molecular Formula: C12H16O2
  • Element System: C-H-O
  • CAS-RN: 94-46-2
  • InChI: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
  • InChI Key: MLLAPOCBLWUFAP-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 192.2572
  • Calculated Log P: 3.602
  • Rotatable Bonds: 7
  • H Acceptors: 1
  • H Donators: 0
  • Reactions having this substance as a reactant: 3
  • Reactions having this substance as a product: 8
  • Journal articles containing this substance: 14
  • Patents containing this substance: 1
  • Other publications containing this substance: 3
  • Suppliers: ABCR, Ark Pharm, ChemPacific, Sigma-Aldrich, VWR

Data from SPRESIweb

3D Interactive Structure