4-Methoxyphenylacetone - CAS 122-84-9
Catalog: |
BB005535 |
Product Name: |
4-Methoxyphenylacetone |
CAS: |
122-84-9 |
Synonyms: |
1-(4-methoxyphenyl)propan-2-one |
IUPAC Name: | 1-(4-methoxyphenyl)propan-2-one |
Description: | 4-Methoxyphenylacetone is a volatile compound released by flowering plants to attractant insects. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(=O)CC1=CC=C(C=C1)OC |
InChI: | InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 |
InChI Key: | WFWKNGZODAOLEO-UHFFFAOYSA-N |
Boiling Point: | 266-268 °C |
Melting Point: | -15°C |
Flash Point: | 135°C |
Purity: | 97 % |
Density: | 1.067 g/cm3 |
Solubility: | water, 3084 mg/L @ 25 °C (est) |
Appearance: | Pale yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008773 |
LogP: | 1.82670 |
Refractive Index: | 1.52-1.53 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
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PMID | Publication Date | Title | Journal |
22472304 | 20120601 | Synthesis of silica particles and their application as supports for alcohol dehydrogenases and cofactor immobilizations: conformational changes that lead to switch in enzyme stereoselectivity | Biochimica et biophysica acta |
19251422 | 20090315 | Design and synthesis of 4-methoxyphenylacetic acid esters as 15-lipoxygenase inhibitors and SAR comparative studies of them | Bioorganic & medicinal chemistry |
15255718 | 20040723 | Generation and absolute reactivity of an aryl enol radical cation in solution | The Journal of organic chemistry |
15240033 | 20040716 | A neolignan-type impurity arising from the peracid oxidation reaction of anethole in the surreptitious synthesis of 4-methoxyamphetamine (PMA) | Forensic science international |
12850418 | 20030708 | Synthesis of standards of the most important markers of Leuckart p-methoxymethamphetamine (PMMA). Examination of the influence of experimental conditions and a drug diluent on SPE/TLC profiling | Forensic science international |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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