3,4,5-Trimethoxyphenol - CAS 642-71-7
Catalog: |
BB032423 |
Product Name: |
3,4,5-Trimethoxyphenol |
CAS: |
642-71-7 |
Synonyms: |
Phenol, 3,4,5-trimethoxy-; Antiarol |
IUPAC Name: | 3,4,5-trimethoxyphenol |
Description: | 3,4,5-Trimethoxyphenol is a natural flavonoid compound with potential antioxidant activity against peroxyl radicals found in the herbs of Callicarpa arborea, it is a useful synthetic intermediate in the synthesis of Thymonin. |
Molecular Weight: | 184.19 |
Molecular Formula: | C9H12O4 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)O |
InChI: | InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3 |
InChI Key: | VTCDZPUMZAZMSB-UHFFFAOYSA-N |
Boiling Point: | 313.1±37.0°C at 760 mmHg |
Melting Point: | 148°C |
Purity: | ≥95% |
Density: | 1.152±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Pale Yellow Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00008389 |
LogP: | 1.41800 |
Quality Standard: | Enterprise Standard |
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 |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
23085667 | 20121019 | Phenolic and lignan glycosides from the butanol extract of Averrhoa carambola L. root | Molecules (Basel, Switzerland) |
21671439 | 20110701 | On the way to understand antioxidants: chromanol and dimethoxyphenols gas-phase acidities | Journal of mass spectrometry : JMS |
21628908 | 20110101 | Three new flavonoid glycosides, byzantionoside B 6'-O-sulfate and xyloglucoside of (Z)-hex-3-en-1-ol from Ruellia patula | Chemical & pharmaceutical bulletin |
20533166 | 20101001 | Antiarol cinnamate and africanoside, a cinnamoyl triterpene and a hydroperoxy-cardenolide from the stem bark of Antiaris africana | Planta medica |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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