Cas no 141038-09-7 (2,4-Hexanedione, 3-[3-(3-methoxyphenyl)propyl]-)

2,4-Hexanedione, 3-[3-(3-methoxyphenyl)propyl]- structure
141038-09-7 structure
Product Name:2,4-Hexanedione, 3-[3-(3-methoxyphenyl)propyl]-
CAS No:141038-09-7
MF:C16H22O3
MW:262.344085216522
CID:1300449
Update Time:2024-08-03

2,4-Hexanedione, 3-[3-(3-methoxyphenyl)propyl]- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Hexanedione, 3-[3-(3-methoxyphenyl)propyl]-
    • Inchi: 1S/C16H22O3/c1-4-16(18)15(12(2)17)10-6-8-13-7-5-9-14(11-13)19-3/h5,7,9,11,15H,4,6,8,10H2,1-3H3
    • InChI Key: ZUKZSWBJNRNJQO-UHFFFAOYSA-N
    • SMILES: CC(=O)C(CCCC1=CC=CC(OC)=C1)C(=O)CC

Computed Properties

  • Exact Mass: 262.15696

Experimental Properties

  • Density: 1.023±0.06 g/cm3(Predicted)
  • Boiling Point: 420.6±40.0 °C(Predicted)
  • PSA: 43.37
  • pka: 10.45±0.59(Predicted)
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