4-Allyl-2,6-dimethoxyphenol - CAS 6627-88-9
Catalog: |
BB032963 |
Product Name: |
4-Allyl-2,6-dimethoxyphenol |
CAS: |
6627-88-9 |
Synonyms: |
2,6-dimethoxy-4-prop-2-enylphenol |
IUPAC Name: | 2,6-dimethoxy-4-prop-2-enylphenol |
Description: | 4-Allyl-2,6-dimethoxyphenol (CAS# 6627-88-9) is a useful research chemical used as a flavoring agent. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | COC1=CC(=CC(=C1O)OC)CC=C |
InChI: | InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3 |
InChI Key: | FWMPKHMKIJDEMJ-UHFFFAOYSA-N |
Boiling Point: | 301.4 °C at 760 mmHg |
Purity: | Techincal grade |
Density: | 1.077 g/cm3 |
Solubility: | 307.4 mg/L at 25 °C (est) |
Appearance: | Yellow liquid |
MDL: | MFCD00008655 |
LogP: | 2.13790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22578462 | 20120615 | Identification of myricetin and scutellarein as novel chemical inhibitors of the SARS coronavirus helicase, nsP13 | Bioorganic & medicinal chemistry letters |
22267741 | 20120309 | Identification of grass-specific enzyme that acylates monolignols with p-coumarate | The Journal of biological chemistry |
22316115 | 20120208 | Biological conversion assay using Clostridium phytofermentans to estimate plant feedstock quality | Biotechnology for biofuels |
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22260222 | 20120101 | Essential oil of Myrica esculenta Buch. Ham.: composition, antimicrobial and topical anti-inflammatory activities | Natural product research |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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