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CS-W001157 4
Total: USD 88.00

5-Methylhexanoic acid

  • CAS No. 628-46-6

  • Cat. No. CS-0096310
  • Purity≥98%
  • MDL No.MFCD00036494

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

5-Methylhexanoic acid|CS-0096310

Structure of 628-46-6

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General Information

  • CAS No. 628-46-6
  • Cat. No. CS-0096310
  • Purity ≥98%
  • MDL No. MFCD00036494
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄O₂
  • Molecular Weight 130.18
  • Synonym(s) Isoenanthic acid
  • SMILES CC(C)CCCC(O)=O

Description

Adenosine 5-diphosphate (ADP) is an adenine nucleotide involved in energy storage and nucleic acid metabolism via its conversion into ATP by ATP synthases. ADP affects platelet activation through its interaction with ADP receptors P2Y1, P2Y12 and P2X1. Upon its conversion to adenosine by ecto-ADPases, platelet activation is inhibited via adenosine receptors.

Synthesis

  • Route1
    • null|null
      329-94-2
    • In-stock
      6-Methylheptan-2-one|CS-0154232
      928-68-7
    • ~43%
    • In-stock
      5-Methylhexanoic acid|CS-0096310
      628-46-6

    References

    • BASF Aktiengesellschaft Patent: US3994897 A1, 1976 ;
  • Route2
    • Ethyl 5-methylhexanoate|CS-0257454
      10236-10-9
    • ~%
    • In-stock
      5-Methylhexanoic acid|CS-0096310
      628-46-6

    References

    • US6384065 B1, ;
  • Route3
    • null|null
      5026-76-6
    • ~%
    • In-stock
      5-Methylhexanoic acid|CS-0096310
      628-46-6

    References

    • Journal of the American Chemical Society, , vol. 65, p. 753

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8973
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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