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CS-W001157 4
Total: USD 88.00

5-Methylhexanol

  • CAS No. 627-98-5

  • Cat. No. CS-W011227
  • Purity≥98%
  • MDL No.MFCD00072703

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

5-Methylhexanol|CS-W011227

Structure of 627-98-5

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General Information

  • CAS No. 627-98-5
  • Cat. No. CS-W011227
  • Purity ≥98%
  • MDL No. MFCD00072703
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₆O
  • Molecular Weight 116.20
  • Synonym(s) Isometheptene Impurity B
  • SMILES CC(C)CCCCO

Description

5-Methylhexanol is a branched primary alcohol featuring a methyl-substituted hexane backbone. This structure imparts enhanced hydrophobicity and steric bulk compared to linear analogs, improving solubility in nonpolar media. The molecule exhibits bench-stable handling characteristics and serves as a valuable scaffold for synthesizing specialty esters, surfactants, and functional intermediates in polymer chemistry.

Synthesis

  • Route1

    References

    • Tate, Daniel J.; Anemian, Remi; Bushby, Richard J.; Nanan, Suwat; Warriner, Stuart L.; Whitaker, Benjamin J. Beilstein Journal of Organic Chemistry, 2012 , vol. 8, p. 120 - 128
  • Route2
    • null|null
      75-21-8
    • null|null
      107-82-4
    • ~97%
    • In-stock
      5-Methylhexanol|CS-W011227
      627-98-5

    References

    • Berkenbusch, Thilo; Brueckner, Reinhard Tetrahedron, 1998 , vol. 54, # 38 p. 11461 - 11470
  • Route3
    • null|null
      41653-96-7
    • null|null
      201230-82-2
    • ~10%
    • In-stock
      5-Methylhexanol|CS-W011227
      627-98-5

    References

    • Diab, Lisa; Gellrich, Urs; Breit, Bernhard Chemical Communications, 2013 , vol. 49, # 84 p. 9737 - 9739

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1987
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H315
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P302+P352-P330-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.805
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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