1'-Acetonaphthone - CAS 941-98-0
Catalog: |
BB041219 |
Product Name: |
1'-Acetonaphthone |
CAS: |
941-98-0 |
Synonyms: |
1-naphthalen-1-ylethanone |
IUPAC Name: | 1-naphthalen-1-ylethanone |
Description: | 1-Acetonaphthone (CAS# 941-98-0) is used in the preparation of S(-)-1-(1'-naphthyl) ethanol, an important synthetic intermediate of mevinic acid analog. |
Molecular Weight: | 170.21 |
Molecular Formula: | C12H10O |
Canonical SMILES: | CC(=O)C1=CC=CC2=CC=CC=C21 |
InChI: | InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3 |
InChI Key: | QQLIGMASAVJVON-UHFFFAOYSA-N |
Boiling Point: | 301-303 °C |
Melting Point: | 10-12 °C |
Flash Point: | 129.5°C |
Purity: | 95 % |
Density: | 1.119 g/cm3 |
Appearance: | Light yellow liquid. |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004013 |
LogP: | 3.04240 |
Refractive Index: | 1.627-1.629 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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 |
22702418 | 20120802 | Modulation of photophysics and photodynamics of 1'-hydroxy-2'-acetonaphthone (HAN) in bile salt aggregates: a study of polarity and nanoconfinement effects | The journal of physical chemistry. B |
21835274 | 20120215 | Asymmetric reduction of a ketone by wet and lyophilized cells of Geotrichum candidum in organic solvents | New biotechnology |
22064894 | 20111001 | (E)-1-(Naphthalen-1-yl)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22058872 | 20110901 | trans-Chlorido(phenanthren-9-yl)bis-(triphenyl-phosphane)nickel(II) | Acta crystallographica. Section E, Structure reports online |
21754134 | 20110401 | 2-Amino-6-(naphthalen-1-yl)-4-phenyl-pyridine-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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