≥99% 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 | 488183417 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183417 |
| Canonical Smiles | CC(C)COC(=O)CC1=CC=CC=C1 |
| IUPAC Name | 2-methylpropyl 2-phenylacetate |
| InChIKey | RJASFPFZACBKBE-UHFFFAOYSA-N |
| INCHI | 1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| Isomeric SMILES | CC(C)COC(=O)CC1=CC=CC=C1 |
| WGK Germany | 2 |
| RTECS | CY1681950 |
| Molecular Weight | 192.25 |
| Beilstein | 9(3)2180 |
| Reaxy-Rn | 1945280 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945280&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 D2425254 | Certificate of Analysis | Mar 20, 2024 | I107622 |
| D2425370 | Certificate of Analysis | Mar 20, 2024 | I107622 |
| I1511208 | Certificate of Analysis | May 06, 2023 | I107622 |
| D23142332 | Certificate of Analysis | Apr 23, 2023 | I107622 |
| Solubility | Insoluble in water, propylene glycol, glycerol, and petroleum. Dissolve in 80% ethanol in 1:2. |
|---|---|
| Refractive Index | 1.487 |
| Flash Point(°F) | 113 °C |
| Flash Point(°C) | 113°C |
| Boil Point(°C) | 253°C |
| Molecular Weight | 192.250 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| 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 | 169.000 |
| 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 |
