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CS-W001157 4
Total: USD 88.00

1-(4-Methylphenyl)butane-1,3-dione

  • CAS No. 4023-79-4

  • Cat. No. CS-0307780
  • Molecule weight176.21
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-(4-Methylphenyl)butane-1,3-dione|CS-0307780

Structure of 4023-79-4

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General Information

  • CAS No. 4023-79-4
  • Cat. No. CS-0307780
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 1-(4-Methylphenyl)-1,3-butanedione
  • SMILES CC1=CC=C(C=C1)C(=O)CC(=O)C

Synthesis

  • Route1
    • null|null
      141-78-6
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~67%
    • 1-(4-Methylphenyl)butane-1,3-dione|CS-0307780
      4023-79-4

    References

    • E-Journal of Chemistry, , vol. 7, # 4 p. 1190 - 1195
  • Route2
    • null|null
      108-24-7
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~70%
    • 1-(4-Methylphenyl)butane-1,3-dione|CS-0307780
      4023-79-4

    References

    • Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 180, # 1 p. 109 - 116
  • Route3
    • null|null
      874-60-2
    • null|null
      123-54-6
    • ~82%
    • 1-(4-Methylphenyl)butane-1,3-dione|CS-0307780
      4023-79-4

    References

    • Synthetic Communications, , vol. 26, # 12 p. 2421 - 2427

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.15682
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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