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EC number: 260-690-6 | CAS number: 57352-34-8
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Ethylbenzenesulphonic acid (CAS No. 57352 -34 -8). The soil adsorption coefficient i.e Koc value of Ethylbenzenesulphonic acid was estimated to be 30.64 L/kg (log Koc=1.4863) by means of MCI method (at 25 deg C). This Koc value indicates that the substance Ethylbenzenesulphonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Additional information
Adsorption / desorption
Various predicted data for the target compound Ethylbenzenesulphonic acid (CAS No. 57352-34-8) and supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Ethylbenzenesulphonic acid (CAS No. 57352 -34 -8). The soil adsorption coefficient i.e Koc value of Ethylbenzenesulphonic acid was estimated to be 30.64 L/kg (log Koc=1.4863) by means of MCI method (at 25 deg C).
The Soil Adsorption Coefficient i.e Koc value of test substance Ethylbenzenesulphonic acid was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 38.9, 5.14 and 1 at pH range 0, 1 and 2-14, respectively (log Koc value ranges from 0 to 1.6 ± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).
AdditionalSoil Adsorption Coefficient i.e Koc value of test substance Ethylbenzenesulphonic acid (CAS no. 57352 -34 -8) was estimated using ChemSpider Database(ChemSpider, 2017). The adsorption coefficient (Koc) value of test substance Ethylbenzenesulphonic acid was estimated to be 1 (Log Koc = 0) at both pH 5.5 and 7.4, respectively.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Benzenesulphonic acid (CAS no. 98-11-3),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical Benzenesulphonic acid. The adsorption coefficient (Koc) value was calculated using astructure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of substance Benzene sulphonic acid was estimated to be 12 (Log Koc = 1.079).
Another adsorption study was conducted for estimating the adsorption coefficient (Koc) value of the same read across chemical Benzenesulphonic acid (CAS no. 98-11-3) (HSDB, 2017). The adsorption coefficient (Koc) value was calculated using a logKow of -2.25 and a regression derived equation. The adsorption coefficient (Koc) value of substance Benzenesulphonic acid was estimated to be 1.4 (Log Koc = 0.1461).
For the read across chemical 4-hydroxybenzene-1-sulfonic acid (CAS no. 98-67-9),adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4-hydroxybenzene-1-sulfonic acid (CAS no. 98-67-9) (HSDB, 2017). The adsorption coefficient (Koc) value was calculated using a logKow of -1.65 and a regression derived equation. The adsorption coefficient (Koc) value of test substance 4-hydroxybenzene-1-sulfonic acid was estimated to be 3.0 (Log Koc = 0.4771).
On the basis of above overall results for target chemicalEthylbenzenesulphonic acid(from EPI suite, ACD labsand ChemSpider,2017) and for its read across substance from authoritative database (HSDB, 2017), it can be concluded that the Koc value of test substanceEthylbenzenesulphonic acidranges from1–38.9,indicating that the test chemicalEthylbenzenesulphonic acidhas a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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