(E)-Methyl caffeate - CAS 67667-67-8
Catalog: |
BB033368 |
Product Name: |
(E)-Methyl caffeate |
CAS: |
67667-67-8 |
Synonyms: |
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (2E)-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)-; (E)-Caffeic acid methyl ester; Methyl (E)-3-(3,4-dihydroxyphenyl)acrylate; trans-Caffeic acid methyl ester; (E)-3-(3,4-Dihydroxyphenyl)propenoic Acid Methyl Ester |
IUPAC Name: | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
Description: | (E)-Methyl caffeate is a remarkably natural compound with unrivaled antioxidant properties and profound anti-inflammatory effects. Its versatility in studying afflictions ranging from cancer to cardiovascular diseases and neurodegenerative disorders showcases its unparalleled potential. Thus, it serves as an indispensable instrument in the realm of drug development. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | COC(=O)C=CC1=CC(=C(C=C1)O)O |
InChI: | InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ |
InChI Key: | OCNYGKNIVPVPPX-HWKANZROSA-N |
Boiling Point: | 367.6±32.0°C at 760 mmHg |
Melting Point: | 161-163°C |
Purity: | ≥95% |
Density: | 1.318±0.06 g/cm3 |
Solubility: | Soluble in Acetonitrile (Slightly), Dimethylformamide, DMSO, Ethyl Acetate, Methanol (Slightly) |
Appearance: | Off-white to Brown Solid |
Storage: | Store at 2-8°C under inert atmosphere |
LogP: | 2.06420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113455504-A | Chitosan-loaded caffeic acid ester nano-medicament and preparation method and application thereof | 20210603 |
CN-113180010-A | Method for improving parasitic rate of parasitic wasp of sesamia inferens by using methyl caffeate | 20210407 |
CN-113018237-A | Natural, safe and efficient acne-removing gel and preparation method thereof | 20210312 |
CN-112999137-A | Moisturizing, relieving and repairing cream containing mineral hot spring water and preparation method thereof | 20210311 |
CN-113018233-A | Bacteriostatic and itching-relieving plant composition and preparation method and application thereof | 20210310 |
PMID | Publication Date | Title | Journal |
26415618 | 20151205 | In vitro anticancer activity of methyl caffeate isolated from Solanum torvum Swartz. fruit | Chemico-biological interactions |
25481497 | 20150115 | K20E, an oxidative-coupling compound of methyl caffeate, exhibits anti-angiogenic activities through down-regulations of VEGF and VEGF receptor-2 | Toxicology and applied pharmacology |
24582984 | 20140315 | Activity of caffeic acid derivatives against Candida albicans biofilm | Bioorganic & medicinal chemistry letters |
24358168 | 20130101 | Inhibitory effects of caffeic acid phenethyl ester derivatives on replication of hepatitis C virus | PloS one |
22117193 | 20121101 | Study on the phenolic constituents of the flowers and leaves of Trifolium repens L | Natural product research |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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