≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
2-Methylcitric Acid is a derivative of the propionate metabolism. The accumulation of 2-Methylcitric Acid is associated with inherited metabolic diseases such as propionic acidemia.
| Canonical Smiles | CC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | 2-hydroxybutane-1,2,3-tricarboxylic acid |
| InChIKey | YNOXCRMFGMSKIJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13) |
| Isomeric SMILES | CC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Molecular Weight | 206.15 |
| Reaxy-Rn | 1794854 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1794854&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 | 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 | Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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 | tricarboxylic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2314284 | Certificate of Analysis | Dec 07, 2023 | M342109 |
| L2314285 | Certificate of Analysis | Dec 07, 2023 | M342109 |
| L2314286 | Certificate of Analysis | Dec 07, 2023 | M342109 |
| L2314287 | Certificate of Analysis | Dec 07, 2023 | M342109 |
| L2314288 | Certificate of Analysis | Dec 07, 2023 | M342109 |
| Sensitivity | Moisture sensitive |
|---|---|
| Boil Point(°C) | 117° C at 0.8 mmHg |
| Melt Point(°C) | 171.38° C (Predicted) |
| Molecular Weight | 206.150 g/mol |
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.043 Da |
| Monoisotopic Mass | 206.043 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
