3,4,5-Trimethoxybenzoic acid - CAS 118-41-2
Catalog: |
BB004096 |
Product Name: |
3,4,5-Trimethoxybenzoic acid |
CAS: |
118-41-2 |
Synonyms: |
3,4,5-trimethoxybenzoic acid |
Application: |
antioxidant |
IUPAC Name: | 3,4,5-trimethoxybenzoic acid |
Description: | Eudesmic acid is a phenolic compound. Eudesmic acid is potent antioxidant and inhibitor of cytokine production. |
Molecular Weight: | 212.20 |
Molecular Formula: | C10H12O5 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C(=O)O |
InChI: | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) |
InChI Key: | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
Boiling Point: | 225-227 °C (10 mmHg) |
Melting Point: | 171 - 172 °C |
Purity: | > 98 % |
Density: | 1.219 g/cm3 |
Solubility: | Sealed in dry, Room Temperature |
Appearance: | Powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00002501 |
LogP: | 1.41060 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H315 (98.33%): 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 |
22246731 | 20120301 | Atropa belladonna hairy roots: orchestration of concurrent oxidation and reduction reactions for biotransformation of carbonyl compounds | Applied biochemistry and biotechnology |
22219905 | 20111101 | N-(4-Hy-droxy-phen-yl)-3,4,5-trimeth-oxy-benzamide | Acta crystallographica. Section E, Structure reports online |
21959301 | 20110929 | Inhibitory effects of constituents from Euphorbia lunulata on differentiation of 3T3-L1 cells and nitric oxide production in RAW264.7 cells | Molecules (Basel, Switzerland) |
21780738 | 20110914 | Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae | Journal of agricultural and food chemistry |
21921667 | 20110101 | The novel potent multidrug resistance inhibitors N,N-bis(cyclohexanol)amine aryl esters are devoid of vascular effects | Pharmacology |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.06847348 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.06847348 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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