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CS-W001157 4
Total: USD 88.00

2,2-Dimethylhex-5-enoic acid

  • CAS No. 58203-68-2

  • Cat. No. CS-0071761
  • Purity≥97%
  • MDL No.MFCD02258574

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

2,2-Dimethylhex-5-enoic acid|CS-0071761

Structure of 58203-68-2

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General Information

  • CAS No. 58203-68-2
  • Cat. No. CS-0071761
  • Purity ≥97%
  • MDL No. MFCD02258574
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) 2,2-Dimethyl-5-hexenoic acid
  • SMILES O=C(O)C(C)(C)CCC=C

Synthesis

  • Route1
    • Methyl 2,2-dimethylhex-5-enoate|CS-0076809
      252206-21-6
    • ~89%
    • 2,2-Dimethylhex-5-enoic acid|CS-0071761
      58203-68-2

    References

    • Pei, Tao; Wang, Xiang; Widenhoefer, Ross A. Journal of the American Chemical Society, 2003 , vol. 125, # 3 p. 648 - 649
  • Route2
    • null|null
      73062-97-2
    • ~97%
    • 2,2-Dimethylhex-5-enoic acid|CS-0071761
      58203-68-2

    References

    • Mueller, I.-E. Sophie; Bernet, Bruno; Dengiz, Cagatay; Schweizer, W. Bernd; Diederich, Francois European Journal of Organic Chemistry, 2014 , vol. 2014, # 5 p. 941 - 953
  • Route3
    • null|null
      16744-89-1
    • ~%
    • 2,2-Dimethylhex-5-enoic acid|CS-0071761
      58203-68-2

    References

    • Ashby, E. C.; DePriest, R. N.; Goel, A. B.; Wenderoth, Bernd; Pham, Tung N. Journal of Organic Chemistry, 1984 , vol. 49, # 19 p. 3545 - 3556

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   37.3
  • LogP   2.0634
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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