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CS-W001157 4
Total: USD 88.00

2-Isopropyl-5-methylhexyl acetate

  • CAS No. 40853-55-2

  • Cat. No. CS-0465472
  • Molecule weight200.32
  • Purity≥98%
  • MDL No.None

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

2-Isopropyl-5-methylhexyl acetate|CS-0465472

Structure of 40853-55-2

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General Information

  • CAS No. 40853-55-2
  • Cat. No. CS-0465472
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₄O₂
  • Molecular Weight 200.32
  • Synonym(s) TETRAHYDROLAVANDULYL ACETATE
  • SMILES CC(C)CCC(COC(=O)C)C(C)C

Synthesis

  • Route1

    References

    • King, Chi-Hsin R.; Poulter, C. Dale Journal of the American Chemical Society, 1982 , vol. 104, # 5 p. 1413 - 1420
  • Route2

    References

    • King, Chi-Hsin R.; Poulter, C. Dale Journal of the American Chemical Society, 1982 , vol. 104, # 5 p. 1413 - 1420
  • Route3
    • 2-Isopropyl-5-methylhexan-1-ol|CS-0698358
      2051-33-4
    • ~%
    • 2-Isopropyl-5-methylhexyl acetate|CS-0465472
      40853-55-2

    References

    • Panradl Riechstoffe und Aromen, 1955 , vol. 5, p. 304

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302
Precautionary Statements : P210-P264-P270-P280-P330-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2579
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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