Ethyl 4-hydroxy-3-methoxycinnamate - CAS 4046-02-0
Catalog: |
BB024510 |
Product Name: |
Ethyl 4-hydroxy-3-methoxycinnamate |
CAS: |
4046-02-0 |
Synonyms: |
ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
Application: |
antioxidant and antibacterial properties |
IUPAC Name: | ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
Description: | Ethyl ferulate isolated from the rhizomes of Ferula sinkiangensis K.M.Shen. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | CCOC(=O)C=CC1=CC(=C(C=C1)O)OC |
InChI: | InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+ |
InChI Key: | ATJVZXXHKSYELS-FNORWQNLSA-N |
Boiling Point: | 164-166 °C (0.5 mmHg) |
Melting Point: | 63-65°C |
Flash Point: | 132.5°C |
Purity: | 98 % |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00009190 |
LogP: | 1.97710 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.565 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961812-A | Method for preparing feed additive rich in bacteriocin and feruloyl esterase by solid state fermentation | 20210423 |
CN-113150992-A | Method for culturing bacillus coagulans for producing bacteriocin and feruloyl esterase and application of bacillus coagulans | 20210423 |
CN-113143827-A | Anti-aging and anti-wrinkling face cream and preparation method thereof | 20210413 |
CN-112939802-A | Ferulic acid amide derivative, and synthesis method and application thereof | 20210204 |
CN-112552366-A | Synthetic method of ferulic acid sterol ester | 20201228 |
PMID | Publication Date | Title | Journal |
31124249 | 20191001 | Glucosylation of the phytoalexin N-feruloyl tyramine modulates the levels of pathogen-responsive metabolites in Nicotiana benthamiana | The Plant journal : for cell and molecular biology |
22954735 | 20121001 | Biological activity evaluation and structure-activity relationships analysis of ferulic acid and caffeic acid derivatives for anticancer | Bioorganic & medicinal chemistry letters |
22441123 | 20120525 | Expression and biochemical characterization of two novel feruloyl esterases derived from fecal samples of Rusa unicolor and Equus burchelli | Gene |
22064438 | 20120501 | Ferulic acid ethyl ester as a potential therapy in neurodegenerative disorders | Biochimica et biophysica acta |
22324721 | 20120307 | Hydroxycinnamic acid ethyl esters as precursors to ethylphenols in wine | Journal of agricultural and food chemistry |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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