Physicochemical Properties
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.21178 |
| Exact Mass | 176.083 |
| CAS # | 103-54-8 |
| PubChem CID | 5282110 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 265.0±0.0 °C at 760 mmHg |
| Flash Point | 130.5±19.9 °C |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.550 |
| LogP | 2.62 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 13 |
| Complexity | 179 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(OC/C=C/C1=CC=CC=C1)=O |
| InChi Key | WJSDHUCWMSHDCR-VMPITWQZSA-N |
| InChi Code | InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+ |
| Chemical Name | [(E)-3-phenylprop-2-enyl] acetate |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Whole-Cell Biocatalytic Synthesis of Cinnamyl Acetate with a Novel Esterase from the DNA Library of Acinetobacter hemolyticus. J Agric Food Chem. 2017 Mar 15;65(10):2120-2128. [2]. Controlled delivery of a new broad spectrum antibacterial agent against colitis: In vitro and in vivo performance. Eur J Pharm Biopharm. 2015 Oct;96:152-61. |
| Additional Infomation |
Cinnamyl acetate is an acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil. It has a role as a fragrance, a metabolite and an insecticide. It is functionally related to a cinnamyl alcohol. Cinnamyl acetate has been reported in Cinnamomum sieboldii, Litchi chinensis, and other organisms with data available. See also: Chinese Cinnamon Leaf Oil (part of). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~567.50 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.19 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (14.19 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (14.19 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.6750 mL | 28.3752 mL | 56.7505 mL | |
| 5 mM | 1.1350 mL | 5.6750 mL | 11.3501 mL | |
| 10 mM | 0.5675 mL | 2.8375 mL | 5.6750 mL |