Registration Dossier
Registration Dossier
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EC number: 202-767-9 | CAS number: 99-57-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from HSDB and PubChem authoritative database
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Soil adsorption coefficient (Koc) of test chemical was estimated using a logKow and a regression derived equation.
- GLP compliance:
- not specified
- Type of method:
- other: No data available
- Media:
- soil
- Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Computational methods:
- - Other: Koc value of test chemical was estimated using a logKow of 1.26 and a regression derived equation.
- Key result
- Type:
- Koc
- Value:
- 120 dimensionless
- Remarks on result:
- other: Log Koc= 2.079
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The adsorption coefficient (Koc) value of test chemical was estimated to be 120 calculated using a logKow and a regression derived equation.
- Executive summary:
Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a logKow of 1.26 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 120 (Log Koc = 2.079). This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Reference
According to a classification scheme, the estimated Koc value suggests that test chemical is expected to have high mobility in soil.
Description of key information
Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (HSDB and PubChem, 2017). The adsorption coefficient (Koc) value was calculated using a logKow of 1.26 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 120 (Log Koc = 2.079). This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 120
Additional information
Various experimental studies and predicted data of the test chemical and supporting studies for its structurally similar read across substance were reviewed for the adsorption end point which are summarized as below:
In an experimental key study from authoritative database (HSDB and PubChem, 2017) for the test chemical,adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a logKow of 1.26 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 120 (Log Koc = 2.079).
In a prediction done using the KOCWIN Program of Estimation Programs Interface (2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 142.9 L/kg (log Koc=2.1552) by means of MCI method (at 25 deg C).
The Soil Adsorption Coefficient i.e Koc value of test chemical was estimated using Adsorption Coefficient module program as Koc 1, 3.14, 23.0, 79.9, 106, 108, 95.3, 42.6, 6.59 and 1 at pH range 0, 1, 2, 3, 4, 5, 6, 7, 8 and 9-14, respectively ((logKoc ranges from 0 to 2.0 ± 1.0) (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)).
In a supporting study from authoritative database (2018),the Koc value for test chemical was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 90 dimensionless and log Koc is 1.9542.
For the test chemical, adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (HSDB, 2018). The adsorption coefficient (Koc) value was calculated using a logKow of 0.88 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 72 (Log Koc = 1.857).
On the basis of above overall results for test chemical (from authoritative and modelling database,2017), it can be concluded that the logKoc value of test chemical ranges from1.6 ± 1.0 –2.1552, respectively, indicating that the test chemical has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.
[LogKoc: 2.079]
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