3-Hydroxy-4-methoxycinnamic acid, predominantly trans - CAS 537-73-5
Catalog: |
BB028345 |
Product Name: |
3-Hydroxy-4-methoxycinnamic acid, predominantly trans |
CAS: |
537-73-5 |
Synonyms: |
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
Application: |
Antioxidant |
IUPAC Name: | (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
Description: | 3-Hydroxy-4-methoxycinnamic acid display various pharmacological activities. 3-Hydroxy-4-methoxycinnamic acid anti-glycation agent, inhibits fructose- and glucose-mediated protein glycation. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=CC(=O)O)O |
InChI: | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
InChI Key: | QURCVMIEKCOAJU-HWKANZROSA-N |
Boiling Point: | 410.2 °C at 760 mmHg |
Melting Point: | 228 - 233 °C |
Flash Point: | 167.6±19.4 °C |
Purity: | > 98 % |
Density: | 1.316 g/cm3 |
Solubility: | In Vitro: DMSO : 100 mg/mL(514.99 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (10.71 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CD in saline) Solubility: ≥ 2.08 mg/mL (10.71 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (10.71 mM); Clear solution |
Appearance: | Powder |
Storage: | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
MDL: | MFCD00004391 |
LogP: | 1.49860 |
Quality Standard: | Enterprise Standard |
Vapor Pressure: | 0.0±1.0 mmHg at 25°C |
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 |
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PMID | Publication Date | Title | Journal |
22480330 | 20120523 | Absorption, disposition, metabolism, and excretion of [3-(14)C]caffeic acid in rats | Journal of agricultural and food chemistry |
22316076 | 20120308 | Energetics and structural properties, in the gas phase, of trans-hydroxycinnamic acids | The journal of physical chemistry. A |
22079762 | 20120101 | Inhibitory constituents of Nardostachys chinensis on nitric oxide production in RAW 264.7 macrophages | Bioorganic & medicinal chemistry letters |
21937734 | 20111201 | Absorption and metabolism of chlorogenic acids in cultured gastric epithelial monolayers | Drug metabolism and disposition: the biological fate of chemicals |
21941899 | 20110901 | Evaluation of antioxidant activity of isoferulic acid in vitro | Natural product communications |
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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