2,4,5-Trimethoxybenzoic acid - CAS 490-64-2
Catalog: |
BB026631 |
Product Name: |
2,4,5-Trimethoxybenzoic acid |
CAS: |
490-64-2 |
Synonyms: |
2,4,5-trimethoxybenzoic acid |
IUPAC Name: | 2,4,5-trimethoxybenzoic acid |
Description: | 2,4,5-Trimethoxybenzoic Acid can be used to alleviate, treat, and prevent inflammatory diseases. |
Molecular Weight: | 212.20 |
Molecular Formula: | C10H12O5 |
Canonical SMILES: | COC1=CC(=C(C=C1C(=O)O)OC)OC |
InChI: | InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12) |
InChI Key: | KVZUCOGWKYOPID-UHFFFAOYSA-N |
Boiling Point: | 300 °C |
Melting Point: | 142-145°C |
Flash Point: | 300°C |
Purity: | 99 % |
Density: | 1.219 g/cm3 |
Appearance: | White fine crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00002435 |
LogP: | 1.41060 |
Refractive Index: | 1.523 |
Vapor Pressure: | 0.000513mmHg at 25°C |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (83.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
11908987 | 20020301 | New flavonol-phenylbutadiene adducts from the leaves of Alpinia flabellata | Journal of natural products |
Complexity: | 218 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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