≥95%(GC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182358 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182358 |
| Canonical Smiles | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| IUPAC Name | trimethyl benzene-1,2,4-tricarboxylate |
| InChIKey | MJHNUUNSCNRGJE-UHFFFAOYSA-N |
| INCHI | 1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3 |
| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| PubChem CID | 17159 |
| Molecular Weight | 252.22 |
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 acid esters |
| Alternative Parents | Tricarboxylic acids and derivatives Benzoyl derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Methyl ester - Carboxylic acid ester - 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 acid esters. These are ester derivatives of benzoic acid. |
| 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 |
|---|---|---|---|
 I2212411 | Certificate of Analysis | Jun 15, 2026 | T162610 |
| I2212410 | Certificate of Analysis | Jun 15, 2026 | T162610 |
| I2212414 | Certificate of Analysis | Jun 15, 2026 | T162610 |
| L2410701 | Certificate of Analysis | Jun 17, 2024 | T162610 |
| L2410717 | Certificate of Analysis | Jun 17, 2024 | T162610 |
| G2429519 | Certificate of Analysis | May 22, 2024 | T162610 |
| G2429520 | Certificate of Analysis | May 22, 2024 | T162610 |
| K2203263 | Certificate of Analysis | Sep 08, 2022 | T162610 |
| K2203264 | Certificate of Analysis | Sep 08, 2022 | T162610 |
| K2203266 | Certificate of Analysis | Sep 08, 2022 | T162610 |
| E2306661 | Certificate of Analysis | Aug 26, 2022 | T162610 |
| Solubility | Insoluble in water |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°F) | 359.6℉ |
| Flash Point(°C) | 182°C(lit.) |
| Boil Point(°C) | 189°C/12mmHg(lit.) |
| Molecular Weight | 252.220 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 252.063 Da |
| Monoisotopic Mass | 252.063 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |
