≥99% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181086 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181086 |
| Canonical Smiles | CC1=CC(=C(C(=C1)C)C(=O)O)C |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChIKey | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12) |
| Isomeric SMILES | CC1=CC(=C(C(=C1)C)C(=O)O)C |
| WGK Germany | 3 |
| RTECS | DI0887010 |
| PubChem CID | 10194 |
| Molecular Weight | 164.2 |
| Beilstein | 1866187 |
| Reaxy-Rn | 1866187 |
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 | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - 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 benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | trimethylbenzoic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1821069 | Certificate of Analysis | Jun 15, 2026 | T109958 |
| C2625142 | Certificate of Analysis | Mar 30, 2026 | T109958 |
| C2205105 | Certificate of Analysis | Dec 12, 2025 | T109958 |
| G2106058 | Certificate of Analysis | Apr 08, 2025 | T109958 |
| G2106060 | Certificate of Analysis | Apr 08, 2025 | T109958 |
| A2515114 | Certificate of Analysis | Jan 18, 2025 | T109958 |
| F2427047 | Certificate of Analysis | Jul 02, 2024 | T109958 |
| Melt Point(°C) | 152-155°C |
|---|---|
| Molecular Weight | 164.200 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.084 Da |
| Monoisotopic Mass | 164.084 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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. Qiang Ma, Lijun Jiang, Bowen Yang, Bowen Xu, Qingyuan Wang, Qihong Wu, Ping Ning, Yingjie Zhang, Jin Huang, Jiming Hao. (2023) Mn/Ce@HKUST-1 for Efficient Removal of Gaseous Thallium: Insights from Kinetic and Experimental Studies. LANGMUIR, [PMID:37669076] [10.1021/acs.langmuir.3c01439] |
| 2. Qiang Ma, Fan Li, Xianglong Zhang, Bowen Yang, Yingjie Zhang, Qingyuan Wang, Qihong Wu, Jin Huang, Jiming Hao. (2024) Effective removal of thallium, recovery, and kinetic research by MnO2@HKUST-1 for wastewater. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.151031] |
