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CS-W001157 4
Total: USD 88.00

5-Methylhexane-2,3-dione

  • CAS No. 13706-86-0

  • Cat. No. CS-W011132
  • Purity≥97%
  • MDL No.MFCD00059352

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

5-Methylhexane-2,3-dione|CS-W011132

Structure of 13706-86-0

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General Information

  • CAS No. 13706-86-0
  • Cat. No. CS-W011132
  • Purity ≥97%
  • MDL No. MFCD00059352
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) Acetylisovaleryl
  • SMILES CC(C(CC(C)C)=O)=O

Synthesis

  • Route1
    • 5-Methylhex-1-en-3-one|CS-0449789
      2177-32-4
    • ~%
    • 5-Methylhexane-2,3-dione|CS-W011132
      13706-86-0

    References

    • Zhurnal Obshchei Khimii, , vol. 22, p. 442,446; engl. Ausg. S. 509, 510
  • Route2
    • null|null
      1669-43-8
    • ~%
    • 5-Methylhexane-2,3-dione|CS-W011132
      13706-86-0

    References

    • Zhurnal Obshchei Khimii, , vol. 29, p. 809,814; engl. Ausg. S. 795, 799
  • Route3
    • null|null
      18150-99-7
    • ~%
    • 5-Methylhexane-2,3-dione|CS-W011132
      13706-86-0

    References

    • Zhurnal Obshchei Khimii, , vol. 29, p. 809,814; engl. Ausg. S. 795, 799

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P240-P241-P280-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.1906
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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