Isovanillin - CAS 621-59-0
Catalog: |
BB031446 |
Product Name: |
Isovanillin |
CAS: |
621-59-0 |
Synonyms: |
3-hydroxy-4-methoxybenzaldehyde |
Application: |
3-Hydroxy-4-methoxybenzaldehyde is a useful reagent for the preparation of aromatic hydrazone derivative and their application as neuraminidase inhibitors. |
IUPAC Name: | 3-hydroxy-4-methoxybenzaldehyde |
Description: | It is a selective inhibitor of aldehyde oxidase. It is not a substrate of that enzyme, and is metabolized by aldehyde dehydrogenase into isovanillic acid. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=O)O |
InChI: | InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 |
InChI Key: | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
Boiling Point: | 179 °C (15 mmHg) |
Purity: | > 98 % |
Density: | 1.231 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00003369 |
LogP: | 1.21330 |
Quality Standard: | Cosmetic grade |
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-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
CN-113367313-A | Low-bitter levo-menthol and preparation method thereof | 20210623 |
CN-113264889-A | Method suitable for industrial production and preparation of gefitinib | 20210611 |
CN-112864365-A | Nitrogen-sulfur co-doped porous carbon loaded zinc oxide negative electrode material and preparation method thereof | 20210420 |
CN-113185391-A | Method for synthesizing isovanillin | 20210412 |
PMID | Publication Date | Title | Journal |
22934626 | 20120921 | Pd(II)-mediated cyclization of o-allylbenzaldehydes in water: a novel synthesis of isocoumarins | Organic letters |
22542395 | 20120901 | Vanillin and isovanillin: comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22978227 | 20120801 | Synthesis and biological evaluation of combretastatin A-4 and three combretastatin-based hybrids | Natural product communications |
22849857 | 20120731 | Phytochemical analysis and Enzyme Inhibition Assay of Aerva javanica for Ulcer | Chemistry Central journal |
22715727 | 20120301 | [Antioxidant constituents from Smilax riparia] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS