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CS-W001157 4
Total: USD 88.00

1-Methylcyclohex-3-ene-1-carboxylic acid

  • CAS No. 16646-42-7

  • Cat. No. CS-0037307
  • Purity≥97%
  • MDL No.None

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

1-Methylcyclohex-3-ene-1-carboxylic acid|CS-0037307

Structure of 16646-42-7

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General Information

  • CAS No. 16646-42-7
  • Cat. No. CS-0037307
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) 1-METHYL-3-CYCLOHEXENECARBOXYLICACID
  • SMILES CC1(CC=CCC1)C(=O)O

Synthesis

  • Route1
    • In-stock
      Cyclohex-3-enecarboxylic acid|CS-W011160
      4771-80-6
    • null|null
      74-88-4
    • ~98%
    • In-stock
      1-Methylcyclohex-3-ene-1-carboxylic acid|CS-0037307
      16646-42-7

    References

    • Hosoya, Masahiro; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko Journal of the American Chemical Society, 2010 , vol. 132, # 42 p. 14780 - 14789
  • Route2
    • null|null
      6493-80-7
    • ~82%
    • In-stock
      1-Methylcyclohex-3-ene-1-carboxylic acid|CS-0037307
      16646-42-7

    References

    • House, Herbert O.; Haack, John L.; McDaniel, William C.; VanDerveer, Don Journal of Organic Chemistry, 1983 , vol. 48, # 10 p. 1643 - 1654
  • Route3
    • In-stock
      Cyclohex-3-enecarboxylic acid|CS-W011160
      4771-80-6
    • null|null
      108-18-9
    • null|null
      74-88-4
    • ~%
    • In-stock
      1-Methylcyclohex-3-ene-1-carboxylic acid|CS-0037307
      16646-42-7

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: US2012/171245 A1, 2012 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8174
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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