≥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.
| Pubchem Sid | 488180527 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180527 |
| Sonrisas canónicas | CC1=CC=C(C=C1)OC(=O)C(C)C |
| IUPAC Name | (4-methylphenyl) 2-methylpropanoate |
| InChIKey | UPPSFGGDKACIKP-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| Isómeros SMILES | CC1=CC=C(C=C1)OC(=O)C(C)C |
| RTECS | NQ5460000 |
| PubChem CID | 7685 |
| Peso molecular | 178.23 |
| Reaxy-Rn | 2519560 |
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 |
| Clase | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Toluenes Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenoxy compound - Toluene - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 F23271294 | Certificate of Analysis | Jun 02, 2023 | P160133 |
| F23271297 | Certificate of Analysis | Jun 02, 2023 | P160133 |
| F23271298 | Certificate of Analysis | Jun 02, 2023 | P160133 |
| F23271302 | Certificate of Analysis | Jun 02, 2023 | P160133 |
| F23271305 | Certificate of Analysis | Jun 02, 2023 | P160133 |
| F2327385 | Certificate of Analysis | Jun 02, 2023 | P160133 |
| Índice de refracción | 1.48 |
|---|---|
| Punto de inflamación (°F) | 100°C(lit.) |
| Punto de inflamación (°C) | 100°C(lit.) |
| Punto de ebullición (°C) | 237°C(lit.) |
| Peso molecular | 178.230 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.099 Da |
| Monoisotopic Mass | 178.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 167.000 |
| 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 |
