Phenoxy-2-propanone - CAS 621-87-4
Catalog: |
BB031455 |
Product Name: |
Phenoxy-2-propanone |
CAS: |
621-87-4 |
Synonyms: |
1-Phenoxy-2-propanone; 1-Phenoxyacetone; 2-Propanone, 1-phenoxy-; 2-Propanone, phenoxy-; Methyl phenoxymethyl ketone; NSC 1876; Phenoxyacetone; Phenoxymethyl methyl ketone |
IUPAC Name: | 1-phenoxypropan-2-one |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC(=O)COC1=CC=CC=C1 |
InChI: | InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
InChI Key: | QWAVNXZAQASOML-UHFFFAOYSA-N |
Boiling Point: | 229-230 °C (lit.) |
Melting Point: | 229-230°C |
Purity: | ≥95% |
Density: | 1.0903 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Clear Colourless to Pale Yellow Oily Matter |
Storage: | Store at 2-8°C |
MDL: | MFCD00008767 |
LogP: | 1.65440 |
GHS Hazard Statement: | H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P271, P304+P312, P304+P340, and P312 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21878001 | 20120101 | Chemical composition and insecticidal activity of the essential oil of Amethystea caerulea L | Natural product research |
20405933 | 20100521 | Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling | The Journal of organic chemistry |
20066362 | 20100121 | Calixpyrrole chemistry: a study of a new ditopic receptor highlighting some fundamental concepts in assessing thermodynamic selectivity | Physical chemistry chemical physics : PCCP |
Complexity: | 126 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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