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CS-W001157 4
Total: USD 88.00

4-Ethylhexanoic acid

  • CAS No. 6299-66-7

  • Cat. No. CS-0240052
  • Molecule weight144.21
  • Purity≥98%
  • MDL No.None

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

4-Ethylhexanoic acid|CS-0240052

Structure of 6299-66-7

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General Information

  • CAS No. 6299-66-7
  • Cat. No. CS-0240052
  • 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) Hexanoic acid,4-ethyl
  • SMILES CCC(CC)CCC(O)=O

Synthesis

  • Route1
    • null|null
      37549-80-7
    • ~%
    • 4-Ethylhexanoic acid|CS-0240052
      6299-66-7

    References

    • JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; Location in patent: Page/Page column 79 ; US 20120322837 A1
  • Route2
    • null|null
      1191453-87-8
    • ~46%
    • 4-Ethylhexanoic acid|CS-0240052
      6299-66-7

    References

    • Berthel, Steven Joseph; Haynes, Nancy-Ellen; Kester, Robert Francis; McDermott, Lee Apostle; Qian, Yimin; Sarabu, Ramakanth; Scott, Nathan Robert; Tilley, Jefferson Wright Patent: US2009/264434 A1, 2009 ; Location in patent: Page/Page column 46-47 ;
  • Route3
    • null|null
      100340-03-2
    • ~%
    • 4-Ethylhexanoic acid|CS-0240052
      6299-66-7

    References

    • Dowd, Paul; Kaufman, Christopher; Kaufman, Paul; Paik, Yi Hyon Tetrahedron Letters, 1985 , vol. 26, # 19 p. 2279 - 2282

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H335
Precautionary Statements : P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P403+P233-P405-P501

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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