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CS-W001157 4
Total: USD 88.00

Ethyl 5-methylhexanoate

  • CAS No. 10236-10-9

  • Cat. No. CS-0257454
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-methylhexanoate|CS-0257454

Structure of 10236-10-9

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General Information

  • CAS No. 10236-10-9
  • Cat. No. CS-0257454
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O₂
  • Molecular Weight 158.24
  • Synonym(s) Hexanoic acid,5-methyl-, ethyl ester
  • SMILES CC(C)CCCC(OCC)=O

Synthesis

  • Route1
    • null|null
      34993-63-0
    • ~%
    • Ethyl 5-methylhexanoate|CS-0257454
      10236-10-9

    References

    • Toyama Chemical Co., Ltd. Patent: US6384065 B1, 2002 ;
  • Route2
    • null|null
      54542-32-4
    • ~%
    • Ethyl 5-methylhexanoate|CS-0257454
      10236-10-9

    References

    • Sato,K. et al. Journal of Organic Chemistry, 1967 , vol. 32, p. 177 - 180
  • Route3
    • null|null
      42272-93-5
    • ~82%
    • Ethyl 5-methylhexanoate|CS-0257454
      10236-10-9

    References

    • Iwasaki, Kotaro; Wan, Kanny K.; Oppedisano, Alberto; Crossley, Steven W. M.; Shenvi, Ryan A. Journal of the American Chemical Society, 2014 , vol. 136, # 4 p. 1300 - 1303

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P362-P370+P378-P403+P233-P403+P235-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3758
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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