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CS-W001157 4
Total: USD 88.00

4,4-Dimethylcyclohexane-1,3-dione

  • CAS No. 562-46-9

  • Cat. No. CS-0153794
  • Purity≥98%
  • MDL No.MFCD00075224

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

4,4-Dimethylcyclohexane-1,3-dione|CS-0153794

Structure of 562-46-9

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General Information

  • CAS No. 562-46-9
  • Cat. No. CS-0153794
  • Purity ≥98%
  • MDL No. MFCD00075224
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) 4,4-Dimethyl-1,3-cyclohexanedione
  • SMILES CC1(C)CCC(=O)CC1=O

Description

Standard molar enthalpy of formation of 4,4-dimethyl-1,3-cyclohexanedione in the gaseous state at 298.15K has been determined.4,4-Dimethyl-1,3-cyclohexanedione was employed in the synthesis of series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones via Biginelli reaction.

Synthesis

  • Route1
    • null|null
      86289-92-1
    • ~50%
    • In-stock
      4,4-Dimethylcyclohexane-1,3-dione|CS-0153794
      562-46-9

    References

    • Wyeth Patent: US2006/14826 A1, 2006 ; Location in patent: Page/Page column 14 ;
  • Route2
    • null|null
      563-80-4
    • null|null
      140-88-5
    • ~86%
    • In-stock
      4,4-Dimethylcyclohexane-1,3-dione|CS-0153794
      562-46-9

    References

    • Ishikawa, Teruhiko; Kadoya, Ryuichiro; Arai, Masaki; Takahashi, Haruka; Kaisi, Yumi; Mizuta, Tomohiro; Yoshikai, Kazusa; Saito, Seiki Journal of Organic Chemistry, 2001 , vol. 66, # 24 p. 8000 - 8009
  • Route3
    • null|null
      563-80-4
    • null|null
      1663-39-4
    • ~99%
    • In-stock
      4,4-Dimethylcyclohexane-1,3-dione|CS-0153794
      562-46-9

    References

    • Ishikawa, Teruhiko; Kadoya, Ryuichiro; Arai, Masaki; Takahashi, Haruka; Kaisi, Yumi; Mizuta, Tomohiro; Yoshikai, Kazusa; Saito, Seiki Journal of Organic Chemistry, 2001 , vol. 66, # 24 p. 8000 - 8009

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

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

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