Vanillic acid - CAS 121-34-6
Catalog: |
BB005127 |
Product Name: |
Vanillic acid |
CAS: |
121-34-6 |
Synonyms: |
4-hydroxy-3-methoxybenzoic acid |
Application: |
Antifungal |
IUPAC Name: | 4-hydroxy-3-methoxybenzoic acid |
Description: | Vanillic acid, an oxidized form of vanillin, is a dihydroxybenzoic acid derivative used as a flavoring and scent agent. |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | COC1=C(C=CC(=C1)C(=O)O)O |
InChI: | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
InChI Key: | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
Boiling Point: | 353.4 °C at 760 mmHg |
Melting Point: | 211.5 °C |
Purity: | > 98 % |
Density: | 1.351 g/cm3 |
Solubility: | Inert atmosphere, Room Temperature |
Appearance: | Powder |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00002551 |
LogP: | 1.09900 |
Quality Standard: | Enterprise Standard |
Vapor Pressure: | 0.0000171 [mmHg] |
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-113462622-A | Pseudomonas for efficiently degrading various aromatic pollutants and application thereof | 20210903 |
AU-2021105675-A4 | Treatment of by-products of plant industry | 20210816 |
CN-113476582-A | Chinese herbal medicine preparation for bathing for promoting blood circulation and dispelling cold and preparation method thereof | 20210810 |
CN-113456774-A | Composition for dispelling effects of alcohol and protecting liver and preparation method thereof | 20210809 |
CN-113372595-A | Rare earth metal complexing polyvinyl alcohol film and preparation method thereof | 20210731 |
PMID | Publication Date | Title | Journal |
33651899 | 20210601 | Vanillic acid mitigates the impairments in glucose metabolism in HepG2 cells through BAD-GK interaction during hyperinsulinemia | Journal of biochemical and molecular toxicology |
29222099 | 20180215 | Isolation of the (+)-Pinoresinol-Mineralizing Pseudomonas sp. Strain SG-MS2 and Elucidation of Its Catabolic Pathway | Applied and environmental microbiology |
28594102 | 20170901 | The inhibition effects of some natural products on lactoperoxidase purified from bovine milk | Journal of biochemical and molecular toxicology |
25794854 | 20150505 | Vanillic acid prevents altered ion pumps, ions, inhibits Fas-receptor and caspase mediated apoptosis-signaling pathway and cardiomyocyte death in myocardial infarcted rats | Chemico-biological interactions |
24165878 | 20140101 | Resveratrol and EGCG bind directly and distinctively to miR-33a and miR-122 and modulate divergently their levels in hepatic cells | Nucleic acids research |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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