≥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.
| Canonical Smiles | CC(=O)OC1=CC=C(C=C1)C(C)(C)C |
|---|---|
| IUPAC Name | (4-tert-butylphenyl) acetate |
| InChIKey | FSALNWWFUMHOAU-UHFFFAOYSA-N |
| INCHI | 1S/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| Isomeric SMILES | CC(=O)OC1=CC=C(C=C1)C(C)(C)C |
| PubChem CID | 76463 |
| Molecular Weight | 192.26 |
| Reaxy-Rn | 1869066 |
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 | Phenylpropanes Phenoxy compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenylpropane - Phenoxy compound - 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 |
| 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 |
|---|---|---|---|
 F2520592 | Certificate of Analysis | Dec 09, 2024 | T161441 |
| F2520593 | Certificate of Analysis | Dec 09, 2024 | T161441 |
| F2520594 | Certificate of Analysis | Dec 09, 2024 | T161441 |
| F2520595 | Certificate of Analysis | Dec 09, 2024 | T161441 |
| F2520596 | Certificate of Analysis | Dec 09, 2024 | T161441 |
| F2520597 | Certificate of Analysis | Dec 09, 2024 | T161441 |
| Refractive Index | 1.5 |
|---|---|
| Flash Point(°C) | 97 °C |
| Boil Point(°C) | 245°C(lit.) |
| Molecular Weight | 192.250 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 192.115 Da |
| Monoisotopic Mass | 192.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 |
