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CS-W001157 4
Total: USD 88.00

2-Acetyl-1-cyclohexanone

  • CAS No. 874-23-7

  • Cat. No. CS-D1351
  • Purity≥95%
  • MDL No.MFCD00001633

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

2-Acetyl-1-cyclohexanone|CS-D1351

Structure of 874-23-7

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General Information

  • CAS No. 874-23-7
  • Cat. No. CS-D1351
  • Purity ≥95%
  • MDL No. MFCD00001633
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) 2-Acetylcyclohexanone; NSC 7713; α-Acetylcyclohexanone; Cyclohexanone, 2-acetyl-
  • SMILES O=C1C(C(C)=O)CCCC1

Description

The keto-enol tautomerism of 2-acetylcyclohexanone (ACHE) in water was studied.2-Acetylcyclohexanone was used in the synthesis of anilinoethanolamines.

Synthesis

  • Route1
    • null|null
      108-94-1
    • null|null
      108-24-7
    • ~83%
    • In-stock
      2-Acetyl-1-cyclohexanone|CS-D1351
      874-23-7

    References

    • Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 180, # 1 p. 109 - 116
  • Route2
    • In-stock
      N-(1-Cyclohexen-1-yl)morpholine|CS-0155408
      670-80-4
    • null|null
      75-36-5
    • ~71%
    • In-stock
      2-Acetyl-1-cyclohexanone|CS-D1351
      874-23-7

    References

    • WO2011/13077 A1, ; Page/Page column 10 ;
  • Route3
    • null|null
      10151-22-1
    • ~81%
    • In-stock
      2-Acetyl-1-cyclohexanone|CS-D1351
      874-23-7

    References

    • Journal of the American Chemical Society, , vol. 123, # 45 p. 11290 - 11291

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.3347
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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