≥55%(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 | 488195379 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195379 |
| Canonical Smiles | CC=CC(=O)OC1=CC=C(C=C1)C |
| IUPAC Name | (4-methylphenyl) (E)-but-2-enoate |
| InChIKey | FGJQFRNEXKYBQC-ONEGZZNKSA-N |
| INCHI | 1S/C11H12O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+ |
| Isomeric SMILES | C/C=C/C(=O)OC1=CC=C(C=C1)C |
| PubChem CID | 5352024 |
| Molecular Weight | 176.22 |
| Reaxy-Rn | 2437586 |
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 | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Toluenes Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenoxy compound - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 F2317134 | Certificate of Analysis | May 25, 2023 | P160129 |
| F2317168 | Certificate of Analysis | May 25, 2023 | P160129 |
| F2317796 | Certificate of Analysis | May 25, 2023 | P160129 |
| F2317800 | Certificate of Analysis | May 25, 2023 | P160129 |
| F2317803 | Certificate of Analysis | May 25, 2023 | P160129 |
| F2317813 | Certificate of Analysis | May 25, 2023 | P160129 |
| Refractive Index | 1.52 |
|---|---|
| Boil Point(°C) | 158°C/24mmHg(lit.) |
| Molecular Weight | 176.210 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 176.084 Da |
| Monoisotopic Mass | 176.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
