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%)
If you are interested or have any questions, please contact us at support@atomfair.com
Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.


Reviews
There are no reviews yet.