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CS-W001157 4
Total: USD 88.00

4-Hexylbenzaldehyde

  • CAS No. 49763-69-1

  • Cat. No. CS-0580874
  • Purity≥98%
  • MDL No.None

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

4-Hexylbenzaldehyde|CS-0580874

Structure of 49763-69-1

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General Information

  • CAS No. 49763-69-1
  • Cat. No. CS-0580874
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O
  • Molecular Weight 190.28
  • Synonym(s) Benzaldehyde, 4-hexyl-
  • SMILES CCCCCCC1=CC=C(C=C1)C=O

Synthesis

  • Route1
    • 1-Phenylhexane|CS-0196489
      1077-16-3
    • null|null
      100-97-0
    • ~91%
    • 4-Hexylbenzaldehyde|CS-0580874
      49763-69-1

    References

    • Kim, Yongju; Kim, Jonghoon; Oh, Keunhee; Lee, Dong-Sup; Park, Seung Bum ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 2 p. 151 - 154
  • Route2
    • 4-(1-Hexyn-1-yl)benzaldehyde|CS-0324160
      175203-90-4
    • ~%
    • 4-Hexylbenzaldehyde|CS-0580874
      49763-69-1

    References

    • Kumar, Deepak; Raj, K. Kranthi; Bailey, Maiann; Alling, Torey; Parish, Tanya; Rawat, Diwan S. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 5 p. 1365 - 1369
  • Route3

    References

    • Matsuhashi, Hayao; Asai, Satoshi; Hirabayashi, Kazunori; Hatanaka, Yasuo; Mori, Atsunori; Hiyama, Tamejiro Bulletin of the Chemical Society of Japan, 1997 , vol. 70, # 2 p. 437 - 444

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.6219
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   6

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