Cas no 112231-84-2 (Benzoic acid, 4-hydroxy-, 1-methylheptyl ester, (R)-)

Benzoic acid, 4-hydroxy-, 1-methylheptyl ester, (R)- structure
112231-84-2 structure
Product Name:Benzoic acid, 4-hydroxy-, 1-methylheptyl ester, (R)-
CAS No:112231-84-2
MF:C15H22O3
MW:250.333384990692
CID:1200253
Update Time:2024-08-05

Benzoic acid, 4-hydroxy-, 1-methylheptyl ester, (R)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-hydroxy-, 1-methylheptyl ester, (R)-
    • Benzoic acid, 4-hydroxy-, (1R)-1-methylheptyl ester
    • Inchi： 1S/C15H22O3/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h8-12,16H,3-7H2,1-2H3/t12-/m1/s1
    • InChI Key： JNXAOLWWDAIBSE-GFCCVEGCSA-N
    • SMILES： C(O[C@H](C)CCCCCC)(=O)C1=CC=C(O)C=C1

Computed Properties

  • Exact Mass: 250.15696

Experimental Properties

  • Density: 1.035±0.06 g/cm3(Predicted)
  • Boiling Point: 362.6±15.0 °C(Predicted)
  • PSA: 46.53
  • pka: 8.18±0.15(Predicted)

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