≥98%(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 | 488186291 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186291 |
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C |
| IUPAC Name | ethenyl 4-tert-butylbenzoate |
| InChIKey | ZLHVSEPPILCZHH-UHFFFAOYSA-N |
| INCHI | 1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC=C |
| PubChem CID | 84940 |
| Molecular Weight | 204.27 |
| Reaxy-Rn | 2095023 |
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 | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Phenylpropanes Benzoyl derivatives Enol esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Phenylpropane - Benzoyl - Enol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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 |
|---|---|---|---|
 E2028100 | Certificate of Analysis | Jan 05, 2026 | V162945 |
| E2325082 | Certificate of Analysis | Mar 04, 2025 | V162945 |
| B2308583 | Certificate of Analysis | Nov 11, 2024 | V162945 |
| B2308584 | Certificate of Analysis | Nov 11, 2024 | V162945 |
| B2308979 | Certificate of Analysis | Nov 08, 2024 | V162945 |
| B2308582 | Certificate of Analysis | Nov 08, 2024 | V162945 |
| I2213099 | Certificate of Analysis | Jun 20, 2024 | V162945 |
| K2217093 | Certificate of Analysis | Oct 25, 2022 | V162945 |
| Solubility | Soluble in Methanol |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°F) | 124°C(lit.) |
| Flash Point(°C) | 124°C |
| Boil Point(°C) | 111°C/2.3mmHg |
| Molecular Weight | 204.260 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 204.115 Da |
| Monoisotopic Mass | 204.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| 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 |
