Vanillyl alcohol - CAS 498-00-0
Catalog: |
BB026825 |
Product Name: |
Vanillyl alcohol |
CAS: |
498-00-0 |
Synonyms: |
Vanillin alcohol; 4-Hydroxy-3-methoxybenzyl alcohol; 4-(Hydroxymethyl)-2-methoxyphenol |
Application: |
4-Hydroxy-3-methyoxybenzyl Alcohol is used in the anti-asthmatic activity of phenolic compounds from the roots of Gastrodia elata Bl. Chemical composition, antioxidant and antibacterial activities of lemon peel essential oil. |
IUPAC Name: | 4-(hydroxymethyl)-2-methoxyphenol |
Description: | Vanillyl alcohol is a natural compound with anti-inflammatory, anti-angiogenic, anticonvulsive and anti-oxidant activities. |
Molecular Weight: | 154.16 |
Molecular Formula: | C8H10O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)CO)O |
InChI: | InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3 |
InChI Key: | ZENOXNGFMSCLLL-UHFFFAOYSA-N |
Boiling Point: | 313.1 °C at 760 mmHg |
Melting Point: | 114 - 115 °C |
Purity: | 98 % |
Density: | 1.226 g/cm3 |
Appearance: | Powder |
LogP: | 0.89310 |
GHS Hazard Statement: | H315 (98.25%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (98.25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22986816 | 20121201 | Biotransformation of ferulic acid to 4-vinylguaiacol by Enterobacter soli and E. aerogenes | Current microbiology |
22307809 | 20120901 | Novel glycoside of vanillyl alcohol, 4-hydroxy-3-methoxybenzyl-α-D-glucopyranoside: study of enzymatic synthesis, in vitro digestion and antioxidant activity | Bioprocess and biosystems engineering |
22231860 | 20120701 | Hot or not? Discovery and characterization of a thermostable alditol oxidase from Acidothermus cellulolyticus 11B | Applied microbiology and biotechnology |
22642695 | 20120621 | Influence of the environment on the protective effects of guaiacol derivatives against oxidative stress: mechanisms, kinetics, and relative antioxidant activity | The journal of physical chemistry. B |
22319100 | 20120507 | Two decades of studying non-covalent biomolecular assemblies by means of electrospray ionization mass spectrometry | Journal of the Royal Society, Interface |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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