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CS-W001157 4
Total: USD 88.00

3-Methylbenzyl alcohol

  • CAS No. 587-03-1

  • Cat. No. CS-0204774
  • Purity≥97%
  • MDL No.MFCD00004646

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

3-Methylbenzyl alcohol|CS-0204774

Structure of 587-03-1

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General Information

  • CAS No. 587-03-1
  • Cat. No. CS-0204774
  • Purity ≥97%
  • MDL No. MFCD00004646
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O
  • Molecular Weight 122.16
  • Synonym(s) α-Hydroxy-m-xylene; 3-Methylbenzyl alcohol
  • SMILES OCC=1C=CC=C(C1)C

Description

3-Methylbenzyl alcohol offers a robust benzyl scaffold with a methyl substituent that enhances lipophilicity and metabolic stability. This bench-stable, moisture-tolerant phenolic alcohol integrates readily into synthetic sequences requiring aromatic aliphatic functionality, serving as a key intermediate in pharmaceutical and agrochemical development.

Synthesis

  • Route1

    References

    • Mojtahedi, Mohammad M.; Akbarzadeh, Elahe; Sharifi, Roholah; Abaee, M. Saeed Organic Letters, 2007 , vol. 9, # 15 p. 2791 - 2793
  • Route2

    References

    • Kamochi, Yasuko; Kudo, Tadahiro Tetrahedron Letters, 2000 , vol. 41, # 3 p. 341 - 344
  • Route3

    References

    • Fisher, Gary B.; Fuller, Joseph C.; Harrison, John; Alvarez, Salvador G.; Burkhardt, Elizabeth R.; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 21 p. 6378 - 6385

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.48732
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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