Registration Dossier

Ecotoxicological information

Long-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
long-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
2017-12-15
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
Remarks:
the QSAR model equation for aliphatic amines is based on only five values from the training set. Therefore, this estimation is not considered to be very reliable.
Justification for type of information:
1. SOFTWARE
Estimation Programs Interface (EPI) Suite for Microsoft Windows, v4.11 (US EPA, 2012)

2. MODEL (incl. version number)
ECOSAR v1.11

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN, see also section 'Test Material'

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment

Data source

Reference
Reference Type:
other: QSAR model
Title:
US EPA . Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 . United States Environmental Protection Agency, Washington, DC, USA ; ECOSAR™ Version 1.11 [2012]
Author:
U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
Year:
2012
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Guideline:
other: ECHA Guidance R.6
Principles of method if other than guideline:
- Software tool(s) used including version: EPIWIN v4.11
- Model(s) used: Ecosar v1.11
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Test material

Reference
Name:
Unnamed
Type:
Constituent

Test organisms

Test organisms (species):
other: daphnid (not further specified)

Study design

Total exposure duration:
21 d

Test conditions

Hardness:
no data
Test temperature:
no data
pH:
no data
Dissolved oxygen:
no data
Salinity:
no data
Nominal and measured concentrations:
no data
Details on test conditions:
no data
Reference substance (positive control):
not required

Results and discussion

Effect concentrations
Duration:
21 d
Dose descriptor:
other: Chronic Value (ChV)
Effect conc.:
1.73 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: QSAR ChV
Details on results:
Result is an estimation by Ecosar v1.11using an extensive set of structure-activity relationships (SARs). The substance is classified as 'Aliphatic Amine'. However, the QSAR model equation for aliphatic amines is based on only five values from the training set.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Result is an estimation by Ecosar v1.11using an extensive set of structure-activity relationships (SARs). The substance is classified as 'Aliphatic Amine'. The chronic value (ChV) estimated for daphnid is 1.73 mg/L. However, the QSAR model equation for aliphatic amines is based on only five values from the training set. Therefore, this estimation is not considered to be very reliable.
Executive summary:

An extensive set of structure - activity relationships (SARs) are used by the computer program ECOSAR v1.11 to determine the long-term toxicity of monomethylamine for daphnid. As a result, a chronic value (ChV) of 1.73 mg/L, based on mortality is reported. However, the QSAR model equation for aliphatic amines is based on only five values from the training set. Therefore, this estimation is not considered to be very reliable.