≥98% 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 | 488180518 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180518 |
| Canonical Smiles | CC(C)C(=O)OCCCC1=CC=CC=C1 |
| IUPAC Name | 3-phenylpropyl 2-methylpropanoate |
| InChIKey | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
| INCHI | 1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| Isomeric SMILES | CC(C)C(=O)OCCCC1=CC=CC=C1 |
| PubChem CID | 7662 |
| Molecular Weight | 206.28 |
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 |
|---|---|---|---|
 K2203286 | Certificate of Analysis | Aug 11, 2025 | P165568 |
| K2203287 | Certificate of Analysis | Aug 11, 2025 | P165568 |
| K2203289 | Certificate of Analysis | Aug 11, 2025 | P165568 |
| K2203290 | Certificate of Analysis | Aug 11, 2025 | P165568 |
| K2203291 | Certificate of Analysis | Aug 11, 2025 | P165568 |
| K2203292 | Certificate of Analysis | Aug 11, 2025 | P165568 |
| G2501024 | Certificate of Analysis | Jul 12, 2025 | P165568 |
| G2515102 | Certificate of Analysis | Jul 12, 2025 | P165568 |
| C2501107 | Certificate of Analysis | Jun 20, 2022 | P165568 |
| K2203293 | Certificate of Analysis | Jun 20, 2022 | P165568 |
| K2203294 | Certificate of Analysis | Jun 20, 2022 | P165568 |
| Refractive Index | 1.49 |
|---|---|
| Boil Point(°C) | 137 °C/15 mmHg |
| Molecular Weight | 206.280 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 206.131 Da |
| Monoisotopic Mass | 206.131 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
