≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752969 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752969 |
| Canonical Smiles | CC(C)COC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | 2-methylpropyl 4-hydroxybenzoate |
| InChIKey | XPJVKCRENWUEJH-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3 |
| Isomeric SMILES | CC(C)COC(=O)C1=CC=C(C=C1)O |
| WGK Germany | 3 |
| RTECS | DH2247000 |
| Molecular Weight | 194.23 |
| Reaxy-Rn | 2642305 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2642305&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzoic acid esters - p-Hydroxybenzoic acid esters |
| Direct Parent | p-Hydroxybenzoic acid alkyl esters |
| Alternative Parents | Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2525084 | Certificate of Analysis | Apr 02, 2025 | I140599 |
| J2417534 | Certificate of Analysis | Jun 25, 2024 | I140599 |
| J2417535 | Certificate of Analysis | Jun 25, 2024 | I140599 |
| J2417536 | Certificate of Analysis | Jun 25, 2024 | I140599 |
| D2315446 | Certificate of Analysis | Apr 13, 2023 | I140599 |
| H1520123 | Certificate of Analysis | Apr 13, 2023 | I140599 |
| C2126066 | Certificate of Analysis | Apr 13, 2023 | I140599 |
| Melt Point(°C) | 76°C |
|---|---|
| Molecular Weight | 194.230 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.094 Da |
| Monoisotopic Mass | 194.094 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yang Jinling, Li Yongxin, Gong Weilei, Wang Changqin, Liu Bencheng, Sun Chengjun. (2014) Simultaneous Determination of Six Parabens in Foods by Matrix Liquid-Phase Dispersion Extraction Combined with High-Performance Liquid Chromatography. Food Analytical Methods, 7 (8): (1693-1702). [PMID:] [10.1007/s12161-014-9807-9] |
| 2. Zheng Hu, Yuhang Yang, Zhe Li, Qiuying Tao, Yinghong Huang, Xian Wang. (2025) Efficient enrichment and sensitive determination of endocrine disruptors in PPCPs by novel magnetic covalent organic framework extraction coupled with HPLC-MS/MS. TALANTA, [PMID:39892117] [10.1016/j.talanta.2025.127667] |
| 3. Yueyue Shi, Dazhen Xiong, Yangyang Zhao, Tiemei Li, Kaige Zhang, Jing Fan. (2019) Highly efficient extraction/separation of Cr (VI) by a new family of hydrophobic deep eutectic solvents. CHEMOSPHERE, [PMID:31629246] [10.1016/j.chemosphere.2019.125082] |
| 4. Na Wei, Zhenjia Zheng, Yuhua Wang, Yanduo Tao, Yun Shao, Shuyun Zhu, Jinmao You, Xian-En Zhao. (2017) Rapid and sensitive determination of multiple endocrine-disrupting chemicals by ultrasound-assisted in situ derivatization dispersive liquid–liquid microextraction coupled with ultra-high-performance liquid chromatography/tandem mass spectrometry. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 31 (11): (937-950). [PMID:28370680] [10.1002/rcm.7865] |
