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. 2020 Jan 12;25(2):310. doi: 10.3390/molecules25020310

Table 1.

Key physical and chemical properties of triclosan.

Parameters Triclosan (TCS)
Chemical structure graphic file with name molecules-25-00310-i001.jpg
Molecular formula C12H7Cl3O2
Molecular weight (g/mol) 289.536
CAS registration number 3380-34-5
IUPAC name 2,4,4′-trichloro-2′-hydroxydiphenyl ether or
5-chloro-2-(2,4-dichlorophenoxy)phenol
Trade name Irgasan DP300 or CH 3565
Use Antiseptic and disinfectant
Chlorine content (weight %) 33.7 a
Log Kow (at 25 °C, pH 7) 4.8 a
Log Koc (at 25 °C, pH 7) 4.1 b
pKa (at 20 °C) 8.14 c
Melting point (°C) 54 – 57 c
Boiling point (°C) 280–290 d
Water solubility (mg/L at 25 °C) 1.97–4.6 a
Vapour pressure (mm Hg at 25 °C) 4.65 × 10−6 e
Some of potential transformation products f,g h,i,j Methyl-triclosan
2,4-dichlorophenol
2,4,6-trichlorophenol
2,3,4-trichlorophenol
2,8-dichlorodibenzo-p-dioxin
Triclosan O-β-d-glucuronide
Triclosan-O-Sulfate
Tetra-III
Penta
Chloroform

Log Kow: The logarithmic octanol-water partition coefficient, Log Koc: Organic carbon partition coefficient, pKa: Dissociation constant. a Halden and Paull [11], b Heidler and Halden [12], c Reiss et al. [13], d Dann and Hontela [14], e Ying et al. [15], f Tohidi and Cai [16], g Chen et al. [17], h Armstrong et al. [18], i Dann and Hontela [14], j Canosa et al. [19].