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CS-W001157 4
Total: USD 88.00

4-(Pentan-3-yl)phenol

  • CAS No. 29528-33-4

  • Cat. No. CS-0552030
  • Purity≥98%
  • MDL No.None

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

4-(Pentan-3-yl)phenol|CS-0552030

Structure of 29528-33-4

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General Information

  • CAS No. 29528-33-4
  • Cat. No. CS-0552030
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O
  • Molecular Weight 164.24
  • Synonym(s) 4-(3-Pentyl)phenol
  • SMILES CCC(CC)C1=CC=C(C=C1)O

Synthesis

  • Route1
    • null|null
      18272-82-7
    • ~90%
    • 4-(Pentan-3-yl)phenol|CS-0552030
      29528-33-4

    References

    • SCHERING CORPORATION Patent: WO2006/98961 A2, 2006 ; Location in patent: Page/Page column 89; 90 ;
  • Route2
    • null|null
      96-22-0
    • null|null
      108-95-2
    • ~46%
    • 4-(Pentan-3-yl)phenol|CS-0552030
      29528-33-4

    References

    • Tateiwa, Jun-Ichi; Hayama, Ei; Nishimura, Takahiro; Uemura, Sakae Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 13 p. 1923 - 1928
  • Route3
    • null|null
      6032-29-7
    • null|null
      108-95-2
    • ~%
    • 4-(Pentan-3-yl)phenol|CS-0552030
      29528-33-4

    References

    • Zukerwanik; Nasarowa Zhurnal Obshchei Khimii, 1937 , vol. 7, p. 623,629 Chem. Zentralbl., 1937 , vol. 108, # II p. 1363 Full Text Show Details Huston et al. Journal of the American Chemical Society, 1945 , vol. 67, p. 899

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.2958
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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