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Common molecules sample 50825 - Reciprocal Net Log in
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Empirical formula: C8H8O
a: 10.256 Å
b: 8.678 Å
c: 8.558 Å
α (alpha): 90.00 °
β (beta): 121.00 °
γ (gamma): 90.00 °
Volume: 652.88 Å3
Space group: P21/n
Calculated density: 1.222 g/cm3
Z: 4
Temperature: -119.0 °C
Formula weight: 120.151 g/mole
R(F): 0.0370
CSD refcode: ACETPH
Short description: Acetophenone is a colorless liquid or white crystal, with characteristic odor.
Keyword: ketone
Keyword: toxic
CAS registry number: 98-86-2
Keyword: fragance ingredient
Keyword: air pollutant
Common name: Acetophenone
Miscellaneous comments: Orange Blossom
Citation of a publication: Y.Tanimoto, H.Kobayashi, S.Nagakura, Y.Saito; Acta Crystallogr.,Sect.B, 29, (1973), 1822
Layman's explanation: Acetophenone can be used as a fragrance ingredient in soaps, detergents, and perfumes; as a flavoring agent in foods, nonalcoholic beverages, and tobacco; and as a solvent for polymers. Acetophenone is used in perfumery industry, mostly in fragrances like honeysuckle and jasmine, flavors of almond, cherry and strawberry and in tobacco and vanilla works. It is released into the environment from a variety of combustion processes and may be released during its manufacture. Acetophenone has been detected in ambient air and drinking water; exposure of the general public may occur through the inhalation of contaminated air or the consumption of contaminated water. Acute exposure of humans to the vapors of acetophenone may produce skin irritation and transient corneal injury. Acute oral exposure has been observed to cause hypnotic or sedative effects, hematological effects, and a weakened pulse.
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
Repository Files:
50825.cif 50825.crt 50825.gif 50825.GIF 50825.ort
50825.pdb 50825.sdt

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