≥97%(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.
| Canonical Smiles | COC(=O)CC(=CC(=O)OC)C(=O)OC |
|---|---|
| IUPAC Name | trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate |
| InChIKey | DZAIBGWGBBQGPZ-GQCTYLIASA-N |
| INCHI | 1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4+ |
| Isomeric SMILES | COC(=O)C/C(=C\C(=O)OC)/C(=O)OC |
| PubChem CID | 6376716 |
| Molecular Weight | 216.19 |
| Reaxy-Rn | 1727362 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | Fatty acid methyl esters Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
| 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 |
|---|---|---|---|
 E2522521 | Certificate of Analysis | Nov 19, 2024 | T162330 |
| E2522522 | Certificate of Analysis | Nov 19, 2024 | T162330 |
| E2522523 | Certificate of Analysis | Nov 19, 2024 | T162330 |
| E2522524 | Certificate of Analysis | Nov 19, 2024 | T162330 |
| E2522534 | Certificate of Analysis | Nov 19, 2024 | T162330 |
| E2522535 | Certificate of Analysis | Nov 19, 2024 | T162330 |
| Refractive Index | 1.46 |
|---|---|
| Boil Point(°C) | 160°C/20mmHg(lit.) |
| Molecular Weight | 216.190 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 216.063 Da |
| Monoisotopic Mass | 216.063 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
