4,6-Dimethoxysalicylaldehyde - CAS 708-76-9
Catalog: |
BB034259 |
Product Name: |
4,6-Dimethoxysalicylaldehyde |
CAS: |
708-76-9 |
Synonyms: |
2-hydroxy-4,6-dimethoxybenzaldehyde |
IUPAC Name: | 2-hydroxy-4,6-dimethoxybenzaldehyde |
Description: | 4,6-Dimethoxysalicylaldehyde (CAS# 708-76-9) is a useful antimicrobial against certain yeasts and a precursor to hexahydrodibenzofuran. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC1=CC(=C(C(=C1)OC)C=O)O |
InChI: | InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3 |
InChI Key: | FQRQWPNYJOFDLO-UHFFFAOYSA-N |
Boiling Point: | 338.8 °C at 760 mmHg |
Melting Point: | 68-70 °C (lit.) |
Purity: | 98 % |
Density: | 1.234 g/cm3 |
Appearance: | Yellow to red-brown solid |
Storage: | Store Cold |
MDL: | MFCD00003328 |
LogP: | 1.22190 |
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-113336730-A | Preparation method and application of 4, 6-dihydroxy-2-phenylbenzofuran | 20210629 |
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PMID | Publication Date | Title | Journal |
21579299 | 20100515 | {3,3',5,5'-Tetra-meth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol-ato}-copper(II) | Acta crystallographica. Section E, Structure reports online |
21579278 | 20100508 | {3,3',5,5'-Tetra-meth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II) | Acta crystallographica. Section E, Structure reports online |
21582851 | 20090613 | 2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-3,5-dimethoxy-phenol | Acta crystallographica. Section E, Structure reports online |
21582634 | 20090330 | 2-[(4-Bromo-phen-yl)imino-meth-yl]-3,5-dimethoxy-phenol | Acta crystallographica. Section E, Structure reports online |
21582454 | 20090311 | 3,5-Dimeth-oxy-2-[(4-propyl-phen-yl)imino-meth-yl]phenol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 171 |
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: | 1.5 |
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