3,5-Dimethoxyphenol - CAS 500-99-2
Catalog: |
BB026921 |
Product Name: |
3,5-Dimethoxyphenol |
CAS: |
500-99-2 |
Synonyms: |
3,5-dimethoxyphenol |
Application: |
3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent. |
IUPAC Name: | 3,5-dimethoxyphenol |
Description: | 3,5-Dimethoxyphenol is purified from the leaves of Taxus baccata. 3,5-Dimethoxyphenol has potent tyrosinase-inhibiting activity. 3,5-Dimethoxyphenol, a cyanogenic aglylactone considered as a marker of Taxus poisoning, is present in all species of Taxus. |
Molecular Weight: | 154.16 |
Molecular Formula: | C8H10O3 |
Canonical SMILES: | COC1=CC(=CC(=C1)O)OC |
InChI: | InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 |
InChI Key: | XQDNFAMOIPNVES-UHFFFAOYSA-N |
Boiling Point: | 172-175 °C (17 mmHg) |
Density: | 1.134 g/cm3 |
Appearance: | Oil |
MDL: | MFCD00008388 |
LogP: | 1.40940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): 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 |
22290751 | 20120101 | Fatal poisoning with Taxus baccata: quantification of paclitaxel (taxol A), 10-deacetyltaxol, baccatin III, 10-deacetylbaccatin III, cephalomannine (taxol B), and 3,5-dimethoxyphenol in body fluids by liquid chromatography-tandem mass spectrometry | Journal of analytical toxicology |
22348025 | 20120101 | Microbial detoxification of bifenthrin by a novel yeast and its potential for contaminated soils treatment | PloS one |
21671439 | 20110701 | On the way to understand antioxidants: chromanol and dimethoxyphenols gas-phase acidities | Journal of mass spectrometry : JMS |
21672247 | 20110614 | In situ lignocellulosic unlocking mechanism for carbohydrate hydrolysis in termites: crucial lignin modification | Biotechnology for biofuels |
21430963 | 20110101 | Importance of phenols structure on their activity as antinitrosating agents: A kinetic study | Journal of pharmacy & bioallied sciences |
Complexity: | 104 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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