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CS-W001157 4
Total: USD 88.00

(R)-3-methylheptanoic acid

  • CAS No. 57403-74-4

  • Cat. No. CS-0489265
  • Molecule weight144.21
  • Purity≥98%
  • MDL No.None

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

(R)-3-methylheptanoic acid|CS-0489265

Structure of 57403-74-4

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General Information

  • CAS No. 57403-74-4
  • Cat. No. CS-0489265
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O₂
  • Molecular Weight 144.21
  • Synonym(s) 3-Methylheptanoic acid
  • SMILES CCCC[C@@H](C)CC(O)=O

Synthesis

  • Route1
    • null|null
      84817-84-5
    • ~%
    • (s)-3-Methylheptanoic acid|CS-0668215
      59614-85-6
    • (R)-3-methylheptanoic acid|CS-0489265
      57403-74-4

    References

    • Sun, Xianfeng; Zhou, Le; Wang, Chun-Jiang; Zhang, Xumu Angewandte Chemie - International Edition, 2007 , vol. 46, # 15 p. 2623 - 2626
  • Route2

    References

    • CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH Patent: US2007/225519 A1, 2007 ;
  • Route3
    • null|null
      172668-92-7
    • ~68%
    • (R)-3-methylheptanoic acid|CS-0489265
      57403-74-4

    References

    • King, G. G. Skip; Gries, Regine; Gries, Gerhard; Slessor, K. N. Journal of Chemical Ecology, 1995 , vol. 21, # 12 p. 2027 - 2046

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2874
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   5

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