≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504755180 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755180 |
| Canonical Smiles | CC(C)COC(=O)C1=CC(=C(C(=C1)O)O)O |
| IUPAC Name | 2-methylpropyl 3,4,5-trihydroxybenzoate |
| InChIKey | UCLHVCFKZSLALE-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O5/c1-6(2)5-16-11(15)7-3-8(12)10(14)9(13)4-7/h3-4,6,12-14H,5H2,1-2H3 |
| Isomeric SMILES | CC(C)COC(=O)C1=CC(=C(C(=C1)O)O)O |
| Molecular Weight | 226.23 |
| Reaxy-Rn | 3319483 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3319483&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 | Hydroxybenzoic acid derivatives - Gallic acid and derivatives |
| Direct Parent | Galloyl esters |
| Alternative Parents | p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic 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 |
|---|---|---|---|
 I2319159 | Certificate of Analysis | Sep 02, 2023 | I157508 |
| I2319160 | Certificate of Analysis | Sep 02, 2023 | I157508 |
| I2319161 | Certificate of Analysis | Sep 02, 2023 | I157508 |
| I2319162 | Certificate of Analysis | Sep 02, 2023 | I157508 |
| I2319163 | Certificate of Analysis | Sep 02, 2023 | I157508 |
| I2319164 | Certificate of Analysis | Sep 02, 2023 | I157508 |
| Melt Point(°C) | 132 °C |
|---|---|
| Molecular Weight | 226.230 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 226.084 Da |
| Monoisotopic Mass | 226.084 Da |
| Topological Polar Surface Area | 87.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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. Jie Shi, Mingquan Huang, Qiang Yang, Yin Xu, Jihong Wu, Hongqin Liu, Jinglin Zhang, Fuping Zheng, Wei Dong. (2024) Relatively reliable and rapid identification of colorant compounds in food matrices by HPLC-DAD-QTOF-MS combined with theoretical calculation. FOOD CHEMISTRY, [PMID:39265302] [10.1016/j.foodchem.2024.141133] |
