Methyl vanillate - CAS 3943-74-6
Catalog: |
BB023982 |
Product Name: |
Methyl vanillate |
CAS: |
3943-74-6 |
Synonyms: |
methyl 4-hydroxy-3-methoxybenzoate |
Application: |
Methyl Vanillate maintains antimicrobial properties due to the phenylpropanoid moiety in the structure. |
IUPAC Name: | methyl 4-hydroxy-3-methoxybenzoate |
Description: | Methyl Vanillate is a compound that exists in Hovenia dulcis Thunb, acting as a Wnt/β-catenin pathway activator. It exhibits antimicrobial and antioxidant activity. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC1=C(C=CC(=C1)C(=O)OC)O |
InChI: | InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
InChI Key: | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
Boiling Point: | 285-287 °C |
Melting Point: | 56-59 °C |
Flash Point: | 120.2°C |
Purity: | > 98 % |
Density: | 1.216 g/cm3 |
Appearance: | White to off-white solid |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00008438 |
LogP: | 1.18740 |
Refractive Index: | 1.534 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H315 (97.83%): 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 |
22688032 | 20120630 | Polyphenolic profile as a useful tool to identify the wood used in wine aging | Analytica chimica acta |
21732721 | 20120601 | Constituents with tyrosinase inhibitory activities from branches of Ficus erecta var. sieboldii King | Journal of enzyme inhibition and medicinal chemistry |
22313772 | 20120101 | Antioxidative properties of vanillic acid esters in multiple antioxidant assays | Bioscience, biotechnology, and biochemistry |
21743462 | 20110710 | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells | Nature chemical biology |
22417331 | 20110501 | Analytical and sensory characterization of the aroma of 'Langhe D.O.C. Nebbiolo' wines: influence of the prefermentative cold maceration with dry ice | Journal of food science |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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