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CS-W001157 4
Total: USD 88.00

1-Phenylhexan-1-ol

  • CAS No. 4471-05-0

  • Cat. No. CS-0198344
  • Purity≥97%
  • MDL No.None

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

1-Phenylhexan-1-ol|CS-0198344

Structure of 4471-05-0

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General Information

  • CAS No. 4471-05-0
  • Cat. No. CS-0198344
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O
  • Molecular Weight 178.27
  • Synonym(s) α-Pentylbenzyl Alcohol
  • SMILES OC(CCCCC)C1=CC=CC=C1

Description

1-Phenylhexan-1-ol features a benzylic alcohol group flanked by a linear hexyl chain, delivering enhanced solubility in organic media while maintaining structural stability. This configuration supports seamless integration into chiral synthesis and pharmaceutical intermediates, where controlled reactivity and predictable stereochemical outcomes are critical.

Application

1-Phenylhexan-1-ol serves as a versatile chiral building block in synthetic organic chemistry, offering a stable benzylic alcohol functionality with favorable handling properties. Its structure enables straightforward functionalization via oxidation to the corresponding ketone or conversion to esters and ethers, supporting diverse downstream transformations. The molecule exhibits good bench stability and facilitates purification by standard chromatographic methods, making it well-suited for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      66-25-1
    • In-stock
      Phenylboronic acid|CS-W001090
      98-80-6
    • ~81%
    • In-stock
      1-Phenylhexan-1-ol|CS-0198344
      4471-05-0

    References

    • Ueda, Masato; Miyaura, Norio Journal of Organic Chemistry, 2000 , vol. 65, # 14 p. 4450 - 4452
  • Route2
    • null|null
      98-85-1
    • null|null
      71-36-3
    • ~88%
    • null|null
      942-92-7
    • In-stock
      1-Phenylhexan-1-ol|CS-0198344
      4471-05-0

    References

    • Fujita, Ken-Ichi; Asai, Chiho; Yamaguchi, Tetsuhiro; Hanasaka, Fumihiro; Yamaguchi, Ryohei Organic Letters, 2005 , vol. 7, # 18 p. 4017 - 4019
  • Route3
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • null|null
      71-36-3
    • ~80%
    • In-stock
      1-Phenylhexan-1-ol|CS-0198344
      4471-05-0

    References

    • Cho; Kim; Shim Journal of Organic Chemistry, 2001 , vol. 66, # 26 p. 9020 - 9022

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.3003
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   5

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