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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Remarks:
other: QSAR
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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 limited documentation / justification
Justification for type of information:
QSAR prediction
Qualifier:
according to
Guideline:
other: QSAR calculation. EC Technical Guidance Document in support of Commission Directive 93/67/EEC
Principles of method if other than guideline:
QSAR calculation. EC Technical Guidance Document in support of Commission Directive 93/67/EEC
GLP compliance:
yes (incl. certificate)
Type of method:
other: QSAR calculation
Media:
soil
Radiolabelling:
no
Remarks:
not relevant for QSAR calculations
Test temperature:
Not relevant
Details on study design: HPLC method:
Not relevant
Type:
log Koc
Value:
0.819
Adsorption and desorption constants:
Not relevant
Recovery of test material:
Not relevant
Concentration of test substance at end of adsorption equilibration period:
Not relevant
Concentration of test substance at end of desorption equilibration period:
Not relevant
Statistics:
Not relevant
Validity criteria fulfilled:
not applicable
Conclusions:
The test material was assigned the class of organic acid and the log10Koc was calculated equal to 0.819.
Executive summary:

Testing of BMS 214702-01 using the HPLC method was not undertaken because the substance is an organic acid. In place of experimental data, a value for adsorption coefficient was calculated using QSARs, the details of which were provided in the technical guidance documents in support of Commission Directive 93/67/EEC on risk assessment of new substances.

The equation used to calculate log10Koc is the one below:

log10Koc = 0.60 x log10Kow + 0.32 = 0.60 x 0.832 +0.32 = 0.819

Description of key information

The test material was assigned the class of organic acid and the log10Koc was calculated equal to 0.819.

Key value for chemical safety assessment

Koc at 20 °C:
6.59

Additional information

Testing of BMS 214702-01 using the HPLC method was not undertaken because the substance is an organic acid. In place of experimental data, a value for adsorption coefficient was calculated using QSARs, the details of which were provided in the technical guidance documents in support of Commission Directive 93/67/EEC on risk assessment of new substances.

The equation used to calculate log10Koc is the one below:

log10Koc = 0.60 x log10Kow + 0.32 = 0.60 x 0.832 +0.32 = 0.819

[LogKoc: 0.819]