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CS-W001157 4
Total: USD 88.00

2-methylheptan-3-one

  • CAS No. 13019-20-0

  • Cat. No. CS-0188082
  • Purity≥97%
  • MDL No.None

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

2-methylheptan-3-one|CS-0188082

Structure of 13019-20-0

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General Information

  • CAS No. 13019-20-0
  • Cat. No. CS-0188082
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O
  • Molecular Weight 128.21
  • Synonym(s) Butyl Isopropyl Ketone
  • SMILES CCCCC(=O)C(C)C

Description

2-Methyl-3-heptanone is a colorless to light yellow liquid. It is one of the trace taste- and odor-causing organic compounds present in natural water.2-Methyl-3-heptanone was used as an internal standard in dynamic headspace sampling, direct solvent extraction and vacuum simultaneous steam distillationsolvent extraction for sample preparation in volatile compound analysis in Thai soy sauce. It was used as an internal standard in the identification of volatile flavor compounds of stored nonfat dry milk using gas chromatography-olfactometry and aroma extract dilution analysis.

Synthesis

  • Route1
    • null|null
      122-56-5
    • null|null
      79-30-1
    • ~34%
    • In-stock
      2-methylheptan-3-one|CS-0188082
      13019-20-0

    References

    • Kabalka, George W.; Malladi, Rama R.; Tejedor, David; Kelley, Shane Tetrahedron Letters, 2000 , vol. 41, # 7 p. 999 - 1001
  • Route2
    • 2-Methylheptan-3-ol|CS-0872552
      18720-62-2
    • ~70%
    • In-stock
      2-methylheptan-3-one|CS-0188082
      13019-20-0

    References

    • Krafft, Marie E.; Zorc, Branka Journal of Organic Chemistry, 1986 , vol. 51, # 26 p. 5482 - 5484
  • Route3
    • null|null
      1068-81-1
    • ~%
    • In-stock
      2-methylheptan-3-one|CS-0188082
      13019-20-0

    References

    • Journal of the American Chemical Society, , vol. 55, p. 1529

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4017
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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