Registration Dossier
Registration Dossier
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EC number: 236-942-6 | CAS number: 13557-75-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached background material, attached further below in the present section.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment, chapter R.6: QSARs and grouping of chemicals, May 2008.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation, KOCWIN v2.00
- Media:
- other: organic carbon (simulated, QSAR)
- Specific details on test material used for the study:
- SMILES: CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+]
- Radiolabelling:
- no
- Key result
- Type:
- Koc
- Value:
- 205.6 L/kg
- Remarks on result:
- other: The Koc may vary by pH. The estimated value is applicable to the neutral pH range.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption/desorption coefficient of sodium lauryl lactylate was estimated to be approximately 205.6 L/kg using the QSAR model KOCWIN v2.00.
- Executive summary:
The adsorption/desorption coefficient of sodium lauryl lactylate was derived from the more robust MCI method using QSAR model KOCWIN v2.00. The MCI method is taken more seriously into account, due to the fact that is includes improved correction factors, resulting a Koc value of 205.6 L/kg. The traditional method gives a value of 4.295 L/kg.
Reference
Description of key information
The adsorption/desorption coefficient of sodium lauryl lactylate was estimated to be approximately 205.6 L/kg using the QSAR model KOCWIN v2.00.
Key value for chemical safety assessment
- Koc at 20 °C:
- 205.6
Additional information
Result indicates that the chemical is likely to very strongly sorb to soil/sediment and show negligible migration to ground water.
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