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CS-W001157 4
Total: USD 88.00

p-Ethylhydratropic acid

  • CAS No. 3585-52-2

  • Cat. No. CS-0120856
  • Molecule weight178.23
  • Purity≥97%
  • MDL No.MFCD08275594

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

p-Ethylhydratropic acid|CS-0120856

Structure of 3585-52-2

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General Information

  • CAS No. 3585-52-2
  • Cat. No. CS-0120856
  • Purity ≥97%
  • MDL No. MFCD08275594
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) None
  • SMILES O=C(O)C(C)C1=CC=C(CC)C=C1

Description

Vanillin is the main aroma constituent that contributes to the vanilla flavor. It occurs naturally in the vanilla pods.

Synthesis

  • Route1
    • In-stock
      1-Methylpyrrolidine|CS-0099463
      120-94-5
    • null|null
      124-38-9
    • null|null
      105-05-5
    • ~%
    • p-Ethylhydratropic acid|CS-0120856
      3585-52-2

    References

    • Mine Safety Appliances Company Patent: US4910337 A1, 1990 ;
  • Route2
    • 2-Chloro-1-(4-ethylphenyl)propan-1-one|CS-0220104
      132560-66-8
    • ~82%
    • p-Ethylhydratropic acid|CS-0120856
      3585-52-2

    References

    • Sonawane, Harikisan R.; Kulkarni, Dilip G.; Ayyangar, Nagaraj R. Tetrahedron Letters, 1990 , vol. 31, # 51 p. 7495 - 7496
  • Route3

    References

    • Sonawane, Harikisan; Bellur, Nanjundiah S.; Kulkarni, Dilip G.; Ayyangar, Nagaraj R. Tetrahedron, 1994 , vol. 50, # 4 p. 1243 - 1260

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P304+P340-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4371
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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