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CS-W001157 4
Total: USD 88.00

3,3-Dimethyl-1-butanol

  • CAS No. 624-95-3

  • Cat. No. CS-W013693
  • Purity≥98%
  • MDL No.MFCD00002928

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

3,3-Dimethyl-1-butanol|CS-W013693

Structure of 624-95-3

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General Information

  • CAS No. 624-95-3
  • Cat. No. CS-W013693
  • Purity ≥98%
  • MDL No. MFCD00002928
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₄O
  • Molecular Weight 102.17
  • Synonym(s) DMB; Neohexanol
  • SMILES CC(C)(CCO)C

Description

3,3-Dimethyl-1-butanol is a glass forming material. The molecular dynamics of 3,3-dimethyl-1-butanol was studied.3,3-Dimethyl-1-butanol is a branched alkanol, which can be used:As a ligand in the preparation of nickel based single-molecule magnets.In the synthesis of lipophilic alkyl parabens as antifungal agents.As a precursor to synthesize hydrocarbon surfactants.

Synthesis

  • Route1
    • null|null
      27843-27-2
    • ~%
    • In-stock
      3,3-Dimethyl-1-butanol|CS-W013693
      624-95-3

    References

    • Chem. Zentralbl., , vol. 77, # I p. 1233
  • Route2
    • null|null
      50-00-0
    • null|null
      13132-23-5
    • ~%
    • In-stock
      3,3-Dimethyl-1-butanol|CS-W013693
      624-95-3

    References

    • Journal of medicinal chemistry, , vol. 8, # 5 p. 604 - 608
  • Route3
    • null|null
      1421-87-0
    • ~%
    • In-stock
      3,3-Dimethyl-1-butanol|CS-W013693
      624-95-3
    • null|null
      64-19-7

    References

    • Journal of Medicinal Chemistry, , vol. 27, # 12 p. 1643 - 1647

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 1987
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
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   1.4149
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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