≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180514 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180514 |
| Sorrisi canonici | CC(C)C(=O)OCCC1=CC=CC=C1 |
| IUPAC Name | 2-phenylethyl 2-methylpropanoate |
| InChIKey | JDQVBGQWADMTAM-UHFFFAOYSA-N |
| INCHI | 1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| Isomeri SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| WGK Germania | 2 |
| RTECS | NQ5435000 |
| PubChem CID | 7655 |
| Peso molecolare | 192.26 |
| Reaxy-Rn | 2330243 |
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 |
| Classe | 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 |
| Descrizione | 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 | carboxylic ester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 K1905169 | Certificate of Analysis | Aug 09, 2023 | P160793 |
| Solubilità | Insoluble in water; Soluble in Alcohol |
|---|---|
| Indice di rifrazione | 1.4873 |
| Punto di infiammabilità (°F) | 226.4 °F |
| Punto di infiammabilità (°C) | 100°C |
| Punto di ebollizione (°C) | 250 °C |
| Peso molecolare | 192.250 g/mol |
| XLogP3 | 3.300 |
| 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 |
| 1. Dehao Meng, Dongbo Zhao, Zhichao Zhao, Xiaoxue Wang, Yi Wu, Yonghui Li, Zhaolin Lv, Qilin Zhong. (2025) Revealing key aroma compounds and the potential metabolic pathways in sea buckthorn berries. FOOD CHEMISTRY, [PMID:39986073] [10.1016/j.foodchem.2025.143430] |
| 2. Yangyang Wang, Rujie Li, Shanxu Han, Yi Jing, Xinyu Gao, Yajuan Liu, Zhongqi Ren, Zhiyong Zhou. (2026) Quantum-chemistry guided extractant screening and direct CO2 stripping for recovering lithium from high Na/Li ratio brine. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2026.138093] |
