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CS-W001157 4
Total: USD 88.00

Cyclohexane-1,3-dione

  • CAS No. 504-02-9

  • Cat. No. CS-W007466
  • Purity≥95%
  • MDL No.MFCD00001585

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

Cyclohexane-1,3-dione|CS-W007466

Structure of 504-02-9

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General Information

  • CAS No. 504-02-9
  • Cat. No. CS-W007466
  • Purity ≥95%
  • MDL No. MFCD00001585
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₂
  • Molecular Weight 112.13
  • Synonym(s) None
  • SMILES O=C1CC(CCC1)=O

Description

Tridecanoic acid is a saturated fatty acid with a terminal carboxylic acid. The carboxylic acid can react with primary amine groups in the presence of activators such as HATU.

Synthesis

  • Route1
    • null|null
      108-46-3
    • ~92%
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9

    References

    • MITSUI PETROCHEMICAL INDUSTRIES, LTD. Patent: EP331422 A3, 1991 ;
  • Route2

    References

    • Suzuki, M.; Watanabe, A.; Noyori, R. Journal of the American Chemical Society, 1980 , vol. 102, # 6 p. 2095 - 2096
  • Route3
    • null|null
      50338-46-0
    • ~9%
    • In-stock
      3-Hydroxycyclohexan-1-one|CS-0051335
      823-19-8
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9

    References

    • Kirihara, Masayuki; Kakuda, Hiroko; Ichinose, Motohiro; Ochiai, Yuta; Takizawa, Shinobu; Mokuya, Asuka; Okubo, Kumiko; Hatano, Akihiko; Shiro, Motoo Tetrahedron, 2005 , vol. 61, # 20 p. 4831 - 4839

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318-H412
Precautionary Statements : P264-P270-P273-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   0.6986
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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