2-Methoxy-4-methylphenol - CAS 93-51-6
Catalog: |
BB040949 |
Product Name: |
2-Methoxy-4-methylphenol |
CAS: |
93-51-6 |
Synonyms: |
2-methoxy-4-methylphenol |
IUPAC Name: | 2-methoxy-4-methylphenol |
Description: | 2-Methoxy-4-methylphenol (CAS# 93-51-6) is a useful research chemical. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)O)OC |
InChI: | InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3 |
InChI Key: | PETRWTHZSKVLRE-UHFFFAOYSA-N |
Boiling Point: | 221-222 °C |
Melting Point: | 2 °C |
Flash Point: | 211 °F |
Purity: | 95 % |
Density: | 1.092 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002378 |
LogP: | 1.70920 |
Refractive Index: | 1.536-1.538 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
GHS Hazard Statement: | H302 (99.94%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29658714 | 20180521 | Activation of TRPV3 by Wood Smoke Particles and Roles in Pneumotoxicity | Chemical research in toxicology |
26795242 | 20160401 | SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study | Toxicology in vitro : an international journal published in association with BIBRA |
24387763 | 20140401 | In vitro activity of natural phenolic compounds against fluconazole-resistant Candida species: a quantitative structure-activity relationship analysis | Journal of applied microbiology |
23800587 | 20131001 | Antifungal efficacy of some natural phenolic compounds against significant pathogenic and toxinogenic filamentous fungi | Chemosphere |
22868160 | 20121115 | Exposure of grapes to smoke of vegetation with varying lignin composition and accretion of lignin derived putative smoke taint compounds in wine | Food chemistry |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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