Ethyl cinnamate - CAS 103-36-6
Catalog: |
BB001096 |
Product Name: |
Ethyl cinnamate |
CAS: |
103-36-6 |
Synonyms: |
2-Propenoic acid, 3-phenyl-, ethyl ester; Cinnamic acid, ethyl ester; 3-Phenyl-2-propenoic acid ethyl ester; Ethyl 3-phenyl-2-propenoate; Ethyl 3-phenylacrylate |
Related CAS: | 4192-77-2 (E-isomer) 403649-38-7 (Deleted CAS) 4610-69-9 (Z-isomer)
|
IUPAC Name: | ethyl 3-phenylprop-2-enoate |
Description: | Ethyl cinnamate (CAS# 103-36-6) is used in the preparation of polymer-encapsulated osmonium used as a catalyst for the dihydroxylation of alkenes and preparation of a camptothecin intermediate, anticancer drug. Also used in the synthesis of substrate specific ERK1/2 inhibitors used to induce apoptosis and inhibit cell proliferation. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | CCOC(=O)C=CC1=CC=CC=C1 |
InChI: | InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3 |
InChI Key: | KBEBGUQPQBELIU-UHFFFAOYSA-N |
Boiling Point: | 271°C |
Melting Point: | 7°C |
Flash Point: | 135°C |
Purity: | ≥95% |
Density: | 1.0490 g/cm3 |
Solubility: | Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate |
Appearance: | Colorless liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00009189 |
LogP: | 2.26290 |
Refractive Index: | 1.558-1.561 |
Stability: | Stable. Incompatible with strong oxidizing agents, acids, bases, reducing agents. Combustible. |
Vapor Pressure: | 0.00327 [mmHg] |
Publication Number | Title | Priority Date |
CN-113455699-A | Heating cigarette with uniform fragrance release amount by mouth | 20210712 |
CN-113455700-A | Heating cigarette with esters uniformly released | 20210712 |
CN-113331380-A | Snail duck feet soup material and making method thereof | 20210607 |
CN-113324736-A | Refractive index matching fluid and optical detection method of glass | 20210527 |
CN-113044904-A | Extracting agent and method for synergistically extracting pollutants and phenols difficult to degrade in coal chemical industry wastewater | 20210510 |
PMID | Publication Date | Title | Journal |
22242695 | 20120203 | Phospha-Michael additions to activated internal alkenes: steric and electronic effects | The Journal of organic chemistry |
21955679 | 20111101 | Novel natural product-based cinnamates and their thio and thiono analogs as potent inhibitors of cell adhesion molecules on human endothelial cells | European journal of medicinal chemistry |
21727038 | 20110801 | Characterization of odor-active compounds of various cherry wines by gas chromatography-mass spectrometry, gas chromatography-olfactometry and their correlation with sensory attributes | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
21417409 | 20110511 | Characterization of odor-active compounds in guava wine | Journal of agricultural and food chemistry |
20947252 | 20110110 | Sheep scab control using trans-cinnamic acid | Veterinary parasitology |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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