Registration Dossier
Registration Dossier
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EC number: 915-656-1 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- other: Structural assessment
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The Adsorption Coefficient (Koc) of GS-11P-T was estimated using the Adsorption Coefficient Program (KOCWIN version 2.00, US EPA).
- GLP compliance:
- no
- Remarks:
- No laboratory work was performed in this study. GLP is therefore not required.
- Type of method:
- other: Calculation
- Type:
- Koc
- Value:
- 103 800 L/kg
- Remarks on result:
- other: Calculation for component 1.
- Type:
- Koc
- Value:
- 2 833 L/kg
- Remarks on result:
- other: Calculation Component 2 (C17).
- Type:
- Koc
- Value:
- 31 250 L/kg
- Remarks on result:
- other: Calculation component 2 (C21).
- Type:
- log Koc
- Value:
- 5.016 dimensionless
- Remarks on result:
- other: Calculation for component 1.
- Type:
- log Koc
- Value:
- 3.452 dimensionless
- Remarks on result:
- other: Calculation Component 2 (C17).
- Type:
- log Koc
- Value:
- 4.495 dimensionless
- Remarks on result:
- other: Calculation component 2 (C21).
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The KOC for component 1 was estimated to be 1.038 x 10^5 L/kg.
The KOC for component 2 (C17) was estimated to be 2.833 x 10^3 L/kg.
The KOC for component 2 (C21) was estimated to be 3.125 x 10^4 L/kg. - Executive summary:
The Adsorption Coefficient (Koc) of GS-11P-T was estimated using the Adsorption Coefficient Program (KOCWIN version 2.00, US EPA).
As the test material is made up of two components, and one of these components is itself a UVCB substance due to variation in the chain length of the coco derivatives, a range of carbon chain lengths has been used to calculate the Koc.
The Koc for component 1 was estimated to be 1.038 x 10^5 L/kg.
The Koc for component 2 (C17) was estimated to be 2.833 x 10^3 L/kg.
The Koc for component 2 (C21) was estimated to be 3.125 x 10^4 L/kg.
Reference
Component 1 Koc Estimate from MCI:
First Order Molecular Connectivity Index: 13.968
Non-Corrected Log Koc (0.5213 MCI + 0.60): 7.8815
Fragment Correction(s):
1 N-CO-C (aliphatic carbon): -1.0277
1 Nitrogen to Carbon (aliphatic) (-N-C): -0.2127
* Organic Acid (-CO-OH): -1.6249
Corrected Log Koc: 5.0162
Estimated Koc: 1.038e+005 L/kg
Component 2 (C17) Koc Estimate from MCI:
First Order Molecular Connectivity Index: 10.968
Non-Corrected Log Koc (0.5213 MCI + 0.60): 6.3176
Fragment Correction(s):
1 N-CO-C (aliphatic carbon): -1.0277
1 Nitrogen to Carbon (aliphatic) (-N-C): -0.2127
* Organic Acid (-CO-OH): -1.6249
Corrected Log Koc: 3.4523
Estimated Koc: 2833 L/kg
Component 2 (C21) Koc Estimate from MCI:
First Order Molecular Connectivity Index: 12.968
Non-Corrected Log Koc (0.5213 MCI + 0.60): 7.3602
Fragment Correction(s):
1 N-CO-C (aliphatic carbon): -1.0277
1 Nitrogen to Carbon (aliphatic) (-N-C): -0.2127
* Organic Acid (-CO-OH): -1.6249
Corrected Log Koc: 4.4949
Estimated Koc: 3.125e+004 L/kg
Description of key information
The KOC for component 1 was estimated to be 1.038 x 10^5 L/kg.
The KOC for component 2 (C17) was estimated to be 2.833 x 10^3 L/kg.
The KOC for component 2 (C21) was estimated to be 3.125 x 10^4 L/kg.
For the chemical safety assessment the intermediate KOC value of 3.125 x 10^4 L/kg was used (assuming a temperature of 20 °C).
Key value for chemical safety assessment
- Koc at 20 °C:
- 31 250
Additional information
The Adsorption Coefficient (Koc) of GS-11P-T was estimated using the Adsorption Coefficient Program (KOCWIN version 2.00, US EPA).
As the test material is made up of two components, and one of these components is itself a UVCB substance due to variation in the chain length of the coco derivatives, a range of carbon chain lengths has been used to calculate the Koc.
The Koc for component 1 was estimated to be 1.038 x 10^5 L/kg.
The Koc for component 2 (C17) was estimated to be 2.833 x 10^3 L/kg.
The Koc for component 2 (C21) was estimated to be 3.125 x 10^4 L/kg.
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