Dibenz[a,h]anthracene-d14

  • CAT Number: R057753
  • CAS Number: 13250-98-1
  • Molecular Formula: C22H14
  • Molecular Weight: 292.439
  • Purity: ≥95%
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Catalog Number R057753
CAS Number 13250-98-1
Synonyms

1,2:5,6-Benzanthracene-d14; 1,2:5,6-Dibenz[a]anthracene-d14; 1,2:5,6-Dibenzanthracen-d14; 1,2:5,6-Dibenzanthracene-d14; 1,2:5,6-Dibenzoanthracene-d14; DBA; Dibenzo[a,h]anthracene-d14; NSC 22433-d14;

Molecular Formula

C22H14

Purity 95%
Storage Store at +4C
IUPAC Name 1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecadeuterionaphtho[1,2-b]phenanthrene
InChI InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
InChIKey LHRCREOYAASXPZ-WZAAGXFHSA-N
SMILES C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32
Reference

[1]. Meyer, W., Kons, S. and Achten, C., 2015.<br />
Impact of reference geosorbents on oral bioaccessibility of PAH in a human in vitro digestive tract model.<br />
Abstract: Former studies on human oral bioaccessibility of polycyclic aromatic hydrocarbons (PAH) from natural soil samples using human in vitro digestive tract models (physiologically based extraction tests, PBET) show highly variable results (0&ndash;100 % of mobilized PAH). Apart from other factors, the type and amount of present geosorbents are assumed to be significant for the degree of desorption/release of PAH into the digestive juice. Therefore, in this study, the reference geosorbents pure quartz sand, Na-montmorillonite clay, Pahokee peat, and charcoal &ldquo;Sommerhit&rdquo; were spiked with selected deuterated PAH and employed as single materials in a PBET. Lowest bioaccessibility was determined in charcoal, representing black carbon (0.1&thinsp;&plusmn;&thinsp;0.1 % for &sum;10 PAH-d) in contrast to higher bioaccessibility in peat (6.4&thinsp;&plusmn;&thinsp;2.2 %) and clay (4.8&thinsp;&plusmn;&thinsp;1.1 %). Highest bioaccessibility was determined in sand (26.9&thinsp;&plusmn;&thinsp;7.5 %). The results show a systematic impact of heterogeneous geosorbents on human oral bioaccessibility of PAH and particularly black carbon acting as a very strong geosorbent that reduces human health risk.<br />
Environmental Science and Pollution Research, 22(7), pp.5164-5170.<br />
<br />
[2]. Thomas, C., Lampert, D. and Reible, D., 2014.<br />
Remedy performance monitoring at contaminated sediment sites using profiling solid phase microextraction (SPME) polydimethylsiloxane (PDMS) fibers.<br />
Abstract: Passive sampling using polydimethylsiloxane (PDMS) profilers was evaluated as a tool to assess the performance of in situ sediment remedies at three locations, Chattanooga Creek (Chattanooga, TN), Eagle Harbor (Bainbridge Island, WA) and Hunter&#39;s Point (San Francisco, CA). The remedy at the first two locations was capping over PAH contaminated sediments while at Hunter&#39;s Point, the assessment was part of an in situ treatment demonstration led by R. G. Luthy (Stanford University) using activated carbon mixed into PCB contaminated sediments. The implementation and results at these contaminated sediment sites were used to illustrate the utility and usefulness of the passive sampling approach. Two different approaches were employed to evaluate kinetics of uptake onto the sorbent fibers. At the capping sites, the passive sampling approach was employed to measure intermixing during cap placement, contamination migration into the cap post-placement and recontamination over time. At the in situ treatment demonstration site, reductions in porewater concentrations in treated versus untreated sediments were compared to measurements of bioaccumulation of PCBs in Neanthes arenaceodentata.<br />
Environmental Science: Processes &amp; Impacts, 16(3), pp.445-452.<br />
<br />
[3]. Camino-S&aacute;nchez, F.J., Zafra-G&oacute;mez, A., Cantarero-Malag&oacute;n, S. and V&iacute;lchez, J.L., 2012.<br />
Validation of a method for the analysis of 77 priority persistent organic pollutants in river water by stir bar sorptive extraction in compliance with the European Water Framework Directive.<br />
Abstract: A multi-residue method for the analysis of semi-volatile organic pollutants in inland groundwater (river water) at ultra-trace levels in compliance with the European Water Framework Directive (WFD) has been developed and validated by stir bar sorptive extraction (SBSE) and thermal desorption coupled with gas chromatography&ndash;triple quadrupole mass spectrometry (SBSE-TD&ndash;GC&ndash;MS/MS(QqQ)). The method includes various families of compounds included in the WFD and other compounds listed as persistent organic pollutants that are banned in the Stockholm Convention of Persistent Organic Pollutants, such as polychlorinated biphenyls, polycyclic aromatics hydrocarbons, and other pesticides not included in the WFD. The method also can be applied for compliance with regional environmental laws. Extraction conditions were optimised in order to analyse simultaneously analytes with very different polarities and octanol&ndash;water partition coefficients, which is an important parameter in the optimisation of a SBSE method. The quantification limits (LOQs) obtained ranged from 0.14 to 10 ng L&minus;1, lower that others presented in previous publications, and complies with the requirement for analytical methods to be used in the analysis of the compounds included in the WFD. Several quality parameters as linearity, trueness and precision were studied with good results, and also uncertainty was estimated. The WFD requires that the level of uncertainty must be lower than 50%, and this requirement was met for all compounds. Precision (in terms of RSD) was lower than 30%, recoveries ranged between 74 and 111%, and determination coefficients were higher than 0.990 for all analytes. Different factors that affect the SBSE procedure were optimised. GC&ndash;MS/MS parameters have also been revised. The accuracy of the method was tested participating in a proficiency testing scheme for each group of analytes.<br />
Talanta, 89, pp.322-334.<br />
<br />
[4]. Ziegenhals, K., Speer, K. and Jira, W., 2009.<br />
Polycyclic aromatic hydrocarbons (PAH) in chocolate on the German market.<br />
Abstract: Benzo[a]anthracene (BaA), chrysene (CHR), cyclopenta[c,d]pyrene (CPP), 5-methylchrysene (5MC), benzo[b]fluoranthene (BbF), benzo[k]fluoranthene (BkF), benzo[j]fluGoranthene (BjF), benzo[a]pyrene (BaP), dibenzo[a,h]anthracene (DhA), indeno[1,2,3-cd]pyrene (IcP), benzo[g,h,i]perylene (BgP), dibenzo[a,l]pyrene (DlP), dibenzo[a,e]pyrene (DeP), dibenzo[a,i]pyrene (DiP) and dibenzo[a,h]pyrene (DhP), the 15 SCFPAH, assessed to be relevant as well as benzo[c]fluorene (BcL) recommended by the European Food Safety Authority (EFSA), were analysed in different types of chocolate. The sample preparation included accelerated solvent extraction (ASE), size exclusion chromatography (SEC) and solid phase chromatography using small silica gel columns. The individual PAH were separated by gas chromatography using a VF-17ms GC column and detected by high resolution mass spectrometry (HRMS). The investigation of 40 samples of various types of chocolate with different cocoa contents resulted in a median benzo[a]pyrene (BaP) content of 0.22 &mu;g/kg. Furthermore, the results showed a linear correlation between the content of BaP and the sum content of the 16 priority PAH. Therefore, the analysis of BaP as a leading substance seems to be suitable to estimate the PAH contamination in chocolate.<br />
Journal f&uuml;r Verbraucherschutz und Lebensmittelsicherheit, 4(2), pp.128-135.<br />
<br />
[5]. Borsella, E., Di Filippo, P., Riccardi, C., Spicaglia, S. and Cecinato, A., 2004.<br />
Data quality of PAH determinations in environmental monitoring.<br />
Abstract The sources of uncertainty affecting measurements of pollutants include sample collection, handling and stocking, and analytical procedure. With regard to chemical analysis, MS detection offers a series of advantages for resolving complex mixtures and identify and quantify analytes present at very small extents. Nevertheless, it presents some problems of reproducibility, which can affect the quality of quantitative data. PAH represent keycompounds among atmospheric pollutants and are usually evaluated by means of dedicated methods comprising MS detection. Based upon the above considerations, an analytical method has been standardized, suitable for determining PAH in atmospheric aerosols and diesel particulate exhausts. To test the procedure, both diesel particulate and urban aerosol NIST reference materials (SRM&mdash;2975 and SRM&mdash;1649A, respectively) have been processed and the results have been compared with certified and/or literature data. The results obtained are shortly discussed.<br />
Annali di Chimica: Journal of Analytical, Environmental and Cultural Heritage Chemistry, 94(9‐10), pp.691-698.

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