Isotope Science / Alfa Chemistry
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Triclosan methyl D3 (methoxy D3)

Catalog Number ACM1020720006-2
CAS 1020720-00-6
Structure Structure
Synonyms Benzene, 4-chloro-1-(2,4-dichlorophenoxy)-2-(methoxy-d3)-, Triclosan methyl D3 (methoxy D3), Triclosan Methyl-d3 Ether
IUPAC Name 2,4-dichloro-1-[4-chloro-2-(trideuteriomethoxy)phenoxy]benzene
Molecular Weight 306.59
Molecular Formula C13D3H6Cl3O2
Canonical SMILES [2H]C([2H])([2H])Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
InChI InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3/i1D3
Storage +20 °C
Accurate Mass 304.9856
Format Neat
Shipping Temperature +20 °C
SIL Type Deuterium
Case Study

Analysis of Triclosan and Its Transformation Product Methyl Triclosan in Fish and Suspended Particles

13C6-TCS and MTCS-D3 were used as internal standards for the quantification of triclosan and methyltriclosan. Rüdel, Heinz, et al. Chemosphere, 2013, 91(11), 1517-1524.

Researchers conducted a retrospective examination of triclosan (TCS) and its potential transformation product methyl triclosan (MTCS) within fish and suspended particulate matter (SPM). MTCS was analyzed directly using gas chromatography-mass spectrometry (GC/MS), while TCS required derivatization prior to analysis, with 13C6-TCS and MTCS-D3 employed as internal standards.
Research data indicated declining MTCS levels in bream from investigated rivers, potentially linked to reduced TCS usage following the voluntary 2001 phase-out of TCS in detergents by the manufacturers' association IKW. However, localized increases in MTCS were observed in 2008.
Risk evaluations suggested negligible ecological risks from MTCS in aquatic environments. Both water and SPM-associated MTCS concentrations posed minimal harm, as estimated pore water levels remained below QSAR-derived predicted no-effect concentrations (PNEC). These findings underscore the impact of regulatory actions on contaminant trends while highlighting the need for continued monitoring of emerging shifts.

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