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CS-W001157 4
Total: USD 88.00

3-Heptanol

  • CAS No. 589-82-2

  • Cat. No. CS-0137777
  • Purity≥98%
  • MDL No.MFCD00004586

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

3-Heptanol|CS-0137777

Structure of 589-82-2

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General Information

  • CAS No. 589-82-2
  • Cat. No. CS-0137777
  • Purity ≥98%
  • MDL No. MFCD00004586
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₆O
  • Molecular Weight 116.20
  • Synonym(s) None
  • SMILES OC(CC)CCCC

Description

3-Heptanol is the main biotransformation product of n-heptane.3-Heptanol can be used:As a solvent to form microenvironments around single-walled carbon nanotubes.To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCisoform.As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.

Synthesis

  • Route1

    References

    • Buszek, Keith R.; Brown, Neil Journal of Organic Chemistry, 2007 , vol. 72, # 8 p. 3125 - 3128
  • Route2
    • null|null
      123-05-7
    • ~0%
    • In-stock
      3-Heptanol|CS-0137777
      589-82-2
    • 2-Ethylhexanoic acid, ≥99%|CS-1268543
      149-57-5
    • null|null
      54009-71-1

    References

    • Vanoye, Laurent; Aloui, Asma; Pablos, Mertxe; Philippe, Regis; Percheron, Aurelien; Favre-Reguillon, Alain; De Bellefon, Claude Organic Letters, 2013 , vol. 15, # 23 p. 5978 - 5981
  • Route3
    • null|null
      123-05-7
    • ~0%
    • In-stock
      3-Heptanol|CS-0137777
      589-82-2
    • 2-Ethylhexanoic acid, ≥99%|CS-1268543
      149-57-5
    • null|null
      106-35-4

    References

    • Sato, Kazuhiko; Hyodo, Mamoru; Takagi, Junko; Aoki, Masao; Noyori, Ryoji Tetrahedron Letters, 2000 , vol. 41, # 9 p. 1439 - 1442

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1987
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P330-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.9475
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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