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Atomfair 4-Pentylphenyl p-toluate C19H22O2 CAS 50649-59-7

4-Pentylphenyl p-toluate (CAS No. 50649-59-7) is a high-purity organic ester with the molecular formula C19H22O2and IUPAC name (4-pentylphenyl) 4-methylbenzoate . This compound is characterized by its aromatic ester structure, featuring a pentylphenyl group and a toluate moiety, making it valuable for specialized chemical synthesis and material science applications. It is supplied as a clear to pale-yellow liquid or solid (depending on temperature) with a consistent purity grade suitable for research and industrial use. Ideal for use as an intermediate in organic synthesis, liquid crystal formulations, or as a reference standard in analytical chemistry. Store in a cool, dry place away…

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Description

4-Pentylphenyl p-toluate (CAS No. 50649-59-7) is a high-purity organic ester with the molecular formula C19H22O2 and IUPAC name (4-pentylphenyl) 4-methylbenzoate. This compound is characterized by its aromatic ester structure, featuring a pentylphenyl group and a toluate moiety, making it valuable for specialized chemical synthesis and material science applications. It is supplied as a clear to pale-yellow liquid or solid (depending on temperature) with a consistent purity grade suitable for research and industrial use. Ideal for use as an intermediate in organic synthesis, liquid crystal formulations, or as a reference standard in analytical chemistry. Store in a cool, dry place away from light and oxidizing agents to ensure stability.

Properties

  • CAS Number: 50649-59-7
  • Complexity: 297
  • IUPAC Name: (4-pentylphenyl) 4-methylbenzoate
  • InChI: InChI=1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
  • InChI Key: OFNFLSYTTLXGBM-UHFFFAOYSA-N
  • Exact Mass: 282.161979940
  • Molecular Formula: C19H22O2
  • Molecular Weight: 282.4
  • SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C
  • Topological: 26.3
  • Monoisotopic Mass: 282.161979940
  • Synonyms: 50649-59-7, 4-Pentylphenyl p-toluate, EINECS 256-683-2, DTXSID40198692, DTXCID00121183, 256-683-2, 4-Pentylphenyl 4-methylbenzoate, 4-n-Pentylphenyl-4-methylbenzoate, (4-pentylphenyl) 4-methylbenzoate, MFCD01076322, MeBzo6P, SCHEMBL3624271, OFNFLSYTTLXGBM-UHFFFAOYSA-N, 4-n-Pentylphenyl 4-methylbenzoate, AKOS015917695, 4-Pentylphenyl 4-methylbenzoate, 97%, CS-W012260, DS-12623, SY240013, 4-Methyl-benzoic acid 4-pentyl-phenyl ester, NS00032112

Application

4-Pentylphenyl p-toluate is primarily used as an intermediate in the synthesis of advanced organic compounds, including liquid crystals for display technologies. Its aromatic ester structure makes it suitable for studying mesomorphic properties in material science research. Additionally, it may serve as a reference standard in chromatographic analysis or as a building block for specialty polymers.

Safety and Hazards

GHS Hazard Statements

  • H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
  • H410 (97.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

  • P273, P391, and P501

Hazard Classes and Categories

  • Aquatic Acute 1 (97.5%)
  • Aquatic Chronic 1 (97.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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