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CS-W001157 4
Total: USD 88.00

3-Methylheptan-3-ol

  • CAS No. 5582-82-1

  • Cat. No. CS-0453592
  • Molecule weight130.23
  • Purity≥98%
  • MDL No.None

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

3-Methylheptan-3-ol|CS-0453592

Structure of 5582-82-1

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General Information

  • CAS No. 5582-82-1
  • Cat. No. CS-0453592
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₈O
  • Molecular Weight 130.23
  • Synonym(s) Butylethylmethylcarbinol
  • SMILES CCCCC(C)(CC)O

Synthesis

  • Route1
    • null|null
      109-69-3
    • null|null
      78-93-3
    • ~73%
    • 3-Methylheptan-3-ol|CS-0453592
      5582-82-1

    References

    • Aycock, David F. Organic Process Research and Development, 2007 , vol. 11, # 1 p. 156 - 159
  • Route2
    • null|null
      109-72-8
    • null|null
      78-93-3
    • ~12%
    • 3-Methylheptan-3-ol|CS-0453592
      5582-82-1
    • null|null
      996-58-7

    References

    • Journal of Organic Chemistry, , vol. 57, # 21 p. 5620 - 5629
  • Route3
    • null|null
      109-72-8
    • null|null
      201230-82-2
    • null|null
      78-93-3
    • ~13%
    • 3-Methylheptan-3-ol|CS-0453592
      5582-82-1
    • null|null
      996-58-7

    References

    • Journal of Organic Chemistry, , vol. 48, # 7 p. 1144 - 1146

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1987
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.3376
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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