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CS-W001157 4
Total: USD 88.00

2,3,6-Trimethylphenol

  • CAS No. 2416-94-6

  • Cat. No. CS-0186482
  • Purity≥98%
  • MDL No.MFCD00002229

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

2,3,6-Trimethylphenol|CS-0186482

Structure of 2416-94-6

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General Information

  • CAS No. 2416-94-6
  • Cat. No. CS-0186482
  • Purity ≥98%
  • MDL No. MFCD00002229
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O
  • Molecular Weight 136.19
  • Synonym(s) 3-Hydroxypseudocumene
  • SMILES OC=1C(=CC=C(C1C)C)C

Description

2,3,6-Trimethylphenol features a sterically hindered aromatic ring stabilized by three methyl groups, enhancing resistance to oxidation and facilitating selective functionalization. This bench-stable phenolic scaffold serves as a robust building block in synthetic organic chemistry and materials development.

Application

2,3,6-Trimethylphenol serves as a versatile building block in synthetic organic chemistry, offering enhanced steric and electronic properties due to its three methyl substituents. Its stability under standard reaction conditions facilitates use in electrophilic aromatic substitution, coupling reactions, and the construction of functionalized heterocycles. The compound functions effectively as a precursor in the synthesis of agrochemicals, pharmaceutical intermediates, and specialty polymers, with predictable reactivity and ease of purification.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H317-H318
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.31746
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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