4'-Hydroxy-2'-methylacetophenone - CAS 875-59-2
Catalog: |
BB038522 |
Product Name: |
4'-Hydroxy-2'-methylacetophenone |
CAS: |
875-59-2 |
Synonyms: |
1-(4-hydroxy-2-methylphenyl)ethanone; Ethanone, 1-(4-hydroxy-2-methylphenyl)-; NSC 63364 |
IUPAC Name: | 1-(4-hydroxy-2-methylphenyl)ethanone |
Description: | 4'-Hydroxy-2'-methylacetophenone has been used in the preparation of morpholine ketone analogs as potent histamine H3 receptor inverse agonists with wake activity. 4'-Hydroxy-2'-methylacetophenone has ciliate toxicity. 4'-Hydroxy-2'-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=C(C=CC(=C1)O)C(=O)C |
InChI: | InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3 |
InChI Key: | IAMNVCJECQWBLZ-UHFFFAOYSA-N |
Boiling Point: | 313 °C (lit.) |
Melting Point: | 129-131 °C (lit.) |
Purity: | 95 % |
Density: | 1.059 g/mL at 25°C(lit.) |
Appearance: | Clear, colorless |
MDL: | MFCD00002303 |
LogP: | 1.90320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20734959 | 20100701 | Chemical composition, antibacterial and antioxidant activity of the essential oil of Bupleurum longiradiatum | Natural product communications |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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