Musk Fragrances in IR Theoretical Spectra Through Semi-Empirical Quantum Methods
نویسندگان
چکیده
منابع مشابه
The toxicology of musk fragrances
Synthetic musk fragrances are widely used as replacements for natural musks not only in perfumes but also in soaps, toiletries and disinfectants. The worldwide annual production of musk fragrances ranges between 6000 and 8000 metric tons per year, of which nitroand polycyclic musks represent 30 and 70%, respectively. As a result of their inherently low biodegradability, nitroand polycyclic musk...
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Synthetic musk fragrances are added to a wide variety of personal care and household products and are present in treated wastewater effluent. Here we report for the first time ambient air and water measurements of six polycyclic musks (AHTN, HHCB, ATII, ADBI, AHMI, and DPMI) and two nitro musks (musk xylene and musk ketone) in North America. The compounds were measured in the air and water of L...
متن کاملSynthetic musk fragrances in human milk from the United States.
Synthetic musk compounds are used as additives in many consumer products, including perfumes, deodorants, and detergents. Earlier studies have reported the occurrence of synthetic musks in environmental and wildlife samples collected in the United States. In this study, human breast milk samples collected from Massachusetts, were analyzed for the determination of concentrations of synthetic mus...
متن کاملFluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.
The CF2 group is incorporated into specific positions within the lactone ring of the natural musk lactone, (12R)-(+)-12-methyl-13-tridecanolide, a constituent of Angelica root oil, Angelica archangelica L. The approach is taken as it was anticipated that CF2 groups would dictate corner locations in the macrocycle and limit the conformational space available to the lactone. Three fluorine contai...
متن کاملStructure-Activity Relationship of Imidazobenzodiazepines, an AM1 Semi-Empirical Quantum Mechanics Study
Conformations and electronic properties of a series of imidazobenzodiazepines are investigated by AM1 semi-empirical quantum mechanics method. It is shown that substitution of Cl in position 7 instead of 8, changes the geometry of the seven membered lactam ring; this may put the N5 nitrogen in a better positon to act as a hydrogen bond acceptor, and the phenyl ring in position 6 is probably...
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ژورنال
عنوان ژورنال: Revista Virtual de Química
سال: 2014
ISSN: 1984-6835
DOI: 10.5935/1984-6835.20140091