Cas no 153427-89-5 (Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-)

Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)- structure
153427-89-5 structure
Product Name:Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-
CAS No:153427-89-5
MF:C16H30O4
MW:286.407005786896
CID:1327153
Update Time:2024-08-18

Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)- Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-
    • Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)- (9CI)
    • Inchi: 1S/C16H30O4/c1-5-6-7-8-9-10-11-13(15(18)19)12-14(17)20-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,19)/t13-/m1/s1
    • InChI Key: UCDDEHHXEDLYRH-CYBMUJFWSA-N
    • SMILES: C(O)(=O)[C@H](CCCCCCCC)CC(OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 285.20667

Experimental Properties

  • Density: 0.983±0.06 g/cm3(Predicted)
  • Boiling Point: 390.3±25.0 °C(Predicted)
  • PSA: 66.43
  • pka: 4.49±0.23(Predicted)
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