≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180789 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180789 |
| Canonical Smiles | CCC(=O)OC(C)C1=CC=CC=C1 |
| IUPAC Name | 1-phenylethyl propanoate |
| InChIKey | WCIQNYOXLZQQMU-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| Isomeric SMILES | CCC(=O)OC(C)C1=CC=CC=C1 |
| WGK Germany | 1 |
| RTECS | DP0620000 |
| PubChem CID | 8432 |
| Molecular Weight | 178.23 |
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 | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - 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 benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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 |
|---|---|---|---|
 B2625210 | Certificate of Analysis | Dec 11, 2025 | S117685 |
| L2509730 | Certificate of Analysis | Dec 11, 2025 | S117685 |
| L2509731 | Certificate of Analysis | Dec 11, 2025 | S117685 |
| I2522425 | Certificate of Analysis | Sep 24, 2025 | S117685 |
| I2522426 | Certificate of Analysis | Sep 24, 2025 | S117685 |
| I2522428 | Certificate of Analysis | Sep 24, 2025 | S117685 |
| L2103283 | Certificate of Analysis | Sep 09, 2025 | S117685 |
| L2103286 | Certificate of Analysis | Sep 09, 2025 | S117685 |
| H2528568 | Certificate of Analysis | Sep 01, 2025 | S117685 |
| H2528569 | Certificate of Analysis | Sep 01, 2025 | S117685 |
| H2528570 | Certificate of Analysis | Sep 01, 2025 | S117685 |
| Refractive Index | 1.49 |
|---|---|
| Flash Point(°F) | 94 °C |
| Flash Point(°C) | 94°C |
| Boil Point(°C) | 91-92°C |
| Molecular Weight | 178.230 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.099 Da |
| Monoisotopic Mass | 178.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Lin Yang, Lulu Liu, Lingbo Ji, Chenxi Jiang, Zhongrong Jiang, Dongliang Li, Zhen Yang, Wen Cai, Quanwei Zhou, Jinshan Lei, Pinhe Li, Yuhong Jia, Jie Liu, Heng Xu, Jun Hu. (2024) Analysis of differences in aroma and sensory characteristics of the mainstream smoke of six cigars. Heliyon, [PMID:38434019] [10.1016/j.heliyon.2024.e26630] |
