Cinnamyl acetate is a fragrance ingredient. Palladium catalyzed allylic alkylation of cinnamyl acetate using sodium diethyl 2-methylmalonate and novel ferrocenyl Schiff base has been investigated.
| Canonical Smiles | CC(=O)OCC=CC1=CC=CC=C1 |
|---|---|
| IUPAC Name | [(E)-3-phenylprop-2-enyl] acetate |
| InChIKey | WJSDHUCWMSHDCR-VMPITWQZSA-N |
| INCHI | 1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+ |
| Isomeric SMILES | CC(=O)OC/C=C/C1=CC=CC=C1 |
| WGK Germany | 1 |
| RTECS | GE2275000 |
| Molecular Weight | 176.21 |
| Reaxy-Rn | 2046000 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046000&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 | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Styrene - 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 styrenes. These are organic compounds containing an ethenylbenzene moiety. |
| External Descriptors | Not available |
| Refractive Index | 1.54-1.543 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 118°C |
| Boil Point(°C) | 265°C |
| Molecular Weight | 176.210 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 176.084 Da |
| Monoisotopic Mass | 176.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Ting Li, Xi Zhao, Xueli Cao. (2023) Volatile Metabolome and Aroma Differences of Six Cultivars of Prunus mume Blossoms. Plants-Basel, 12 (2): (308). [PMID:36679020] [10.3390/plants12020308] |
| 2. Changyue Deng, Tao Sheng, Hui Zhu, Yujie Wu, Sanxu Shi, Yibin Zhou. (2025) Large-ring cyclodextrins for efficient encapsulation of diverse aroma molecules: Exploring mechanism of inclusion complex formation and stabilization. FOOD CHEMISTRY, [PMID:40974646] [10.1016/j.foodchem.2025.146441] |
| 3. Hongyu Chen, Ronggang Jiang, Huimin An, Hao Xu, Xingchang Ou, Kuofei Wang, Yuan Chen, Youcang Jiang, Shi Li, Jianan Huang, Zhonghua Liu. (2026) Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics. Food Chemistry-X, [PMID:41799623] [10.1016/j.fochx.2026.103695] |
