≥97% 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 | 488194715 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194715 |
| Canonical Smiles | CC(C)(C)OC(=O)CCC(=O)O |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid |
| InChIKey | PCOCFIOYWNCGBM-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10) |
| Isomeric SMILES | CC(C)(C)OC(=O)CCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 174.19 |
| Beilstein | 1772169 |
| Reaxy-Rn | 1772169 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772169&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Branched fatty acids Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Branched fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty 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 |
|---|---|---|---|
 C2212358 | Certificate of Analysis | Jan 12, 2026 | M140156 |
| C2212360 | Certificate of Analysis | Jan 12, 2026 | M140156 |
| C2212390 | Certificate of Analysis | Jan 12, 2026 | M140156 |
| C2212401 | Certificate of Analysis | Jan 12, 2026 | M140156 |
| C2212406 | Certificate of Analysis | Jan 12, 2026 | M140156 |
| L1507014 | Certificate of Analysis | Jul 31, 2023 | M140156 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 92 °C/1.5 mmHg |
| Melt Point(°C) | 51-54°C |
| Molecular Weight | 174.190 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 174.089 Da |
| Monoisotopic Mass | 174.089 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
