N-1-naphthylaniline

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

19 Oct 2020

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:

1. SOFTWARE
EpiSuite v4.11 (US EPA, 2020)

2. MODEL (incl. version number)
KOCWIN v2.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N(c1ccccc1)c1cccc2ccccc12

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to 'Attached documentation' and 'Overall remarks'

5. APPLICABILITY DOMAIN
please refer to 'Attached documentation' and 'Overall remarks'

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA
- Model(s) used: KOCWIN v2.00 (log Kow method)
- Model description: see field 'Justification for type of information', 'Attached justification' and 'Overall remarks'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and 'Overall remarks'

GLP compliance:

no

Remarks:

calculation

Type of method:

other: calculation

Specific details on test material used for the study:

N(c1ccccc1)c1cccc2ccccc12

Radiolabelling:

no

Test temperature:

25 °C

Analytical monitoring:

not required

Type:

Koc

Value:

1 685

Temp.:

25 °C

Remarks on result:

other: The substance is within the applicability domain of the model

Type:

log Koc

Value:

3.227

Temp.:

25 °C

Remarks on result:

other: The substance is within the applicability domain of the model

Validity criteria fulfilled:

yes

Conclusions:

The logKOC was predicted to be 3.227 (KOC = 1685 L/kg).

Executive summary:

The KOC was predicted with the QSAR model KOCWIN v2.00 using the logKow method. A measured logKow from the implemented database was used for this prediction. The logKOC was predicted to be 3.227 (KOC = 1685 L/kg). This prediction falls within the applicability domain of the model.

Description of key information

Adsorption to solid soil phase is expected (log Koc = 3.23, KOCWIN v2.00).

Key value for chemical safety assessment

Koc at 20 °C:

1 685

Additional information

No study investigating the adsorption potential of N-1-naphthylanilin is available. In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided. For the assessment of N-1-naphthylanilin (Q)SAR results were used. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment. Hence, further experimental studies assessing the adsorption potential of the test substance are not provided.

 

[LogKoc: 3.23]