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CS-W001157 4
Total: USD 88.00

4-Propylphenol

  • CAS No. 645-56-7

  • Cat. No. CS-W018327
  • Purity≥98%
  • MDL No.MFCD00002395

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

4-Propylphenol|CS-W018327

Structure of 645-56-7

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General Information

  • CAS No. 645-56-7
  • Cat. No. CS-W018327
  • Purity ≥98%
  • MDL No. MFCD00002395
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O
  • Molecular Weight 136.19
  • Synonym(s) None
  • SMILES OC1=CC=C(C=C1)CCC

Description

4-Propylphenol features a para-substituted phenolic ring with a linear alkyl chain, offering enhanced lipophilicity and stability compared to shorter-chain analogs. This structural motif enables efficient integration into functional materials and intermediates for pharmaceutical and agrochemical synthesis under standard conditions.

Application

4-Propylphenol serves as a versatile phenolic building block in synthetic organic chemistry, enabling straightforward functionalization at the aromatic ring and hydroxyl group. Its alkylated para-substituent enhances solubility and stability compared to simpler phenols, facilitating purification and handling. The compound functions effectively in etherification, esterification, and coupling reactions, supporting applications in agrochemical intermediates and pharmaceutical scaffold development.

Synthesis

  • Route1

    References

    • NEUBERT; STAHL; CLINE 1982 , vol. V 89, # N 1-4 p. 93 - 117
  • Route2
    • null|null
      470665-13-5
    • ~0%
    • In-stock
      4-Propylphenol|CS-W018327
      645-56-7
    • 4-(1-Hydroxypropyl)phenol|CS-0260327
      22805-42-1

    References

    • Krauss, J.; Unterreitmeier, D. Archiv der Pharmazie (Weinheim, Germany), 2002 , vol. 335, # 2 p. 94 - 98
  • Route3
    • null|null
      102260-54-8
    • ~%
    • In-stock
      4-Propylphenol|CS-W018327
      645-56-7

    References

    • Journal of Organic Chemistry, , vol. 51, # 13 p. 2585 - 2589

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3145
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H315-H318-H335-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.3447
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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