Isotope Science / Alfa Chemistry
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Triclosan D3 (2,4-dichlorophenoxy D3) 100 µg/mL in Cyclohexane

Catalog Number ACM1020719985-1
CAS 1020719-98-5
Structure Structure
IUPAC Name 5-chloro-2-(2,4-dichloro-3,5,6-trideuteriophenoxy)phenol
Molecular Weight 292.56
Molecular Formula C12D3H4Cl3O2
Canonical SMILES [2H]c1c([2H])c(Oc2ccc(Cl)cc2O)c(Cl)c([2H])c1Cl
InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H/i1D,3D,5D
Storage +20 °C
Accurate Mass 290.97
Format Single Solution
Shipping Temperature +20 °C
SIL Type Deuterium
CAS (Unlabeled) 3380-34-5
Case Study

Triclosan-D3 as an Internal Standard for Bioaccumulation and Removal Study of Triclosan

Triclosan-D3 is used to estimate the distribution of triclosan in artificial wetlands. Zhao, Congcong, et al. Science of the Total Environment, 2016, 547, 9-16.

Industrial wastewater commonly transports triclosan into the environment because it is widely used as a preservative and biocide in pharmaceuticals and personal care products. Researchers investigated optimal plant species for triclosan removal in a laboratory-scale constructed wetland (CW) by examining bioaccumulation factors (BAFs) and bio-sediment accumulation factors (BSAFs).
Triclosan-D3 (100 ng) was added as a surrogate standard during sample preparation prior to extraction. Triclosan and its deuterated analog were quantified using ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). In multiple reaction monitoring (MRM) mode, parent ions at *m/z* 286.80 (triclosan) and 289.80 (triclosan-D3) generated a daughter ion at *m/z* 35.2. The method demonstrated high precision, with standard curve correlation coefficients of 0.9996 (triclosan) and 0.9995 (triclosan-D3), and instrument detection limits (IDL) of 20 ng/L and 25 ng/L, respectively.
Over 80% triclosan removal efficiency was achieved in the CW, with distinct accumulation patterns observed among emergent, submerged, and floating plant species. Mass balance analysis revealed a negative correlation between triclosan concentrations in plants and its degradation rate. Significant relationships between Log BSAFs and both plant triclosan levels and degradation contributions provided a robust framework for selecting wetland plants. These findings highlight the role of species-specific accumulation and degradation dynamics in optimizing triclosan removal in constructed wetlands.

Development and Performance Evaluation of a Passive Sampler for Monitoring Triclosan in Water Samples

Cork-based passive sampler and its isotropy validation by triclosan-d3. Cerrato, Inmaculada, et al. Green Analytical Chemistry, 2022, 1, 100008.

This study developed a cork-based passive sampler (CPS) to measure triclosan (TCS) concentrations in sewage and river water. The CPS demonstrated a sampling rate of 0.47 L/d with isotropic properties, reflecting uniform adsorption and desorption capabilities. It detected TCS concentrations ranging from 19-390 ng/L in sewage and 7-271 ng/L in river water.
For calibration and isotropy validation, triclosan-d3 (TCS-d3), a labeled calibration compound, was enriched into the layered cork matrix to generate adsorption/desorption profiles. Gas chromatography-mass spectrometry (GC-MS) analysis identified TCS and TCS-d3 using characteristic ions at *m/z* 345/347 (TCS) and 350/365 (TCS-d3), with both compounds eluting at 10.77 minutes.
Isotropy testing revealed symmetrical adsorption and desorption curves for TCS and TCS-d3, showing a ratio of approximately 0.5, confirming equilibrium under laboratory conditions. The kinetic phase persisted for ~60 hours before reaching equilibrium. These results validate the CPS as a reliable tool for isotropic passive sampling of TCS in aquatic environments.

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