Table 3.
The information on the physico-chemical properties and test concentrations of 16 test chemicals.
| Compound | CAS No. | Molecular weight (g/mol) | pKa | Log P | Test conc. | Supplier |
|---|---|---|---|---|---|---|
| 4-Hydroxybenzoic acid (4-HBA) | 99-96-7 | 138.1 | 4.54 | 1.58 | 250 μM | SIGMA-ALDRICH |
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| Methyl paraben (MeP) | 99-76-3 | 152.2 | 8.4, 8.5 | 1.96 | 75 μM | |
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| Propyl paraben (PrP) | 94-13-3 | 180.2 | 8.5 (phenol) | 3.04 | 75 μM | |
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| Butyl paraben (BuP) | 94-26-8 | 194.23 | 8.47 | 3.57 | 75 μM | |
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| Bisphenol S (BPS) | 80-09-1 | 250.3 | 8.2 | 1.65 | 125 μM | SIGMA-ALDRICH |
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| Bisphenol F (BPF) | 620-92-8 | 200.2 | 7.55, 10.80 | 2.91 | 250 μM | |
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| Bisphenol A (BPA) | 80-05-7 | 228.3 | 9.6 | 3.40 | 75 μM | |
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| Methylisothiazolinone (MIT) | 2682-20-4 | 115.2 | - | −0.83 | 350 μM | AK scientific |
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| Chloromethylisothiazolinone (CMIT) | 26172-55-4 | 149.6 | - | 0.40 | 250 μM | LGC |
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| Benzisothiazolinone (BIT) | 2634-33-5 | 151.2 | - | 0.76 | 100 μM | SIGMA-ALDRICH |
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| Dichlorooctylisothiazolinone (DCOIT) | 64359-81-5 | 282.2 | - | 2.85 | 125 μM | Tokyo Chemical Industry |
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| Octylisothiazolinone (OIT) | 26530-20-1 | 213.3 | - | 5.00 | 125 μM | |
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| Diethyl phthalate (DEP) | 84-66-2 | 222.2 | - | 2.20 | 250 μM | SIGMA-ALDRICH |
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| Dibutyl phthalate (DBP) | 84-74-2 | 278.3 | - | 4.40 | 250 μM | |
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| Bis(2-ethylhexyl) phthalate (DEHP) | 117-81-7 | 390.6 | - | 7.60 | 250 μM | |
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| Di-isononyl phthalate (DINP) | 28553-12-0 | 418.6 | - | 9.37 | 250 μM | |
The sources of physico-chemical properties of test chemicals were materials safety data sheet (MSDS) and PubChem of National Library of Medicine.