Registration Dossier
Registration Dossier
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EC number: 200-677-4 | CAS number: 68-11-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- 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:
- QSAR prediction.
- Principles of method if other than guideline:
- (Q)SAR: QSAR linear regression analysis equations were developed utilizing Molecular Connectivity Index (MCI).
- GLP compliance:
- no
- Type of method:
- other: estimated by QSAR
- Media:
- soil
- Specific details on test material used for the study:
- n.a.
- Test temperature:
- n.a.
- Details on study design: HPLC method:
- n.a.
- Analytical monitoring:
- not required
- Details on sampling:
- n.a.
- Details on matrix:
- n.a.
- Details on test conditions:
- n.a.
- Computational methods:
- n.a.
- Key result
- Type:
- Koc
- Value:
- 1.44 L/kg
- Remarks on result:
- other: QSAR
- Remarks:
- QSAR
- Details on results (HPLC method):
- n.a.
- Adsorption and desorption constants:
- n.a.
- Recovery of test material:
- n.a.
- Concentration of test substance at end of adsorption equilibration period:
- n.a.
- Concentration of test substance at end of desorption equilibration period:
- n.a.
- Transformation products:
- not measured
- Details on results (Batch equilibrium method):
- n.a.
- Statistics:
- Koc was estimated with the Kocwin software v2.00 (MCI method). Thioglycolic acid is a small linear molecule with one terminal carboxilic group and one terminal mercaptan group. According to its descriptors, it falls in the scope of the MCI model, as indicated in appendix D of the KOCWIN v2.00 user manual.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Log Koc was estimated by QSAR using the MCI method. Log Koc = 1.44
- Executive summary:
Log Koc was estimated with KOCWIN v2.0 of the Episuite v4.11 software by QSAR using the MCI method. The descriptors of thioglycolic acid fall in the scope of the MCI model, as indicated in appendix D of the KOC user manual. Log Koc = 1.44
Reference
Description of key information
Log Koc was estimated with KOCWIN v2.0 of the Episuite v4.11 software by QSAR using the MCI method. The descriptors of thioglycolic acid fall in the scope of the MCI model, as indicated in appendix D of the KOC user manual. Log Koc = 1.44. Based on this result, the substance has a low adsorption potential.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1.44
Additional information
[LogKoc: 0.158]
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