Registration Dossier

Ecotoxicological information

Long-term toxicity to aquatic invertebrates

Currently viewing:

Administrative data

Endpoint:
long-term toxicity to aquatic invertebrates
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 adequate and reliable documentation / justification
Remarks:
QSAR prediction using the most recent version of ECOSAR (2011) - can be used as key information in a weight-of-evidence approach.
Justification for type of information:
1. SOFTWARE
On-Line EPI Suite™ User's Guide (v4.00 - v4.11).

2. MODEL (incl. version number)
ECOSAR v.1.11.

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(CN(CCCN(C)C)CCCN(C)C)O

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- The ECOSAR model and underlying methodology has been presented in a document developed over a period of more than 25 years by EPA/OPPT, EPA contractors, and/or others in the scientific and technical community to screen chemicals in the absence of data: Methodology document for the Ecological Structure-Activity Relationship Model (ECOSAR) Class Program estimating toxicity of industrial chemicals to aquatic organisms using the Ecosar (ecological structure actiivity relationship) class program. MS-Windows Version 1.11. May 2012.

5. APPLICABILITY DOMAIN
See Methodology document for the Ecological Structure-Activity Relationship Model (ECOSAR) Class Program and Interpretation QSAR Class Reference Documents available in the On-Line ECOSAR Help section of ECOSAR.

6. ADEQUACY OF THE RESULT
see QPRF

Data source

Reference
Reference Type:
other: QSAR
Title:
The ECOSAR (ECOlogical Structure Activity Relationships) class program for microsoft windows v1.11; within Estimation Programs Interface for Microsoft Windows, EPI Suite version 4.11
Author:
US EPA
Year:
2011
Bibliographic source:
Software package: ECOSAR v1.11, U.S. Environmental Protection Agency, Office of Chemical Safety and Pollution Prevention, 1200 Pennsylvania Ave., N.W. Washington, DC 20460-0001, USA.
Report Date:
2017

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: ECOSAR v.1.11
Version / remarks:
Guidance on information requirements and chemical safety assessment
Chapter R.6: QSARs and grouping of chemicals
Principles of method if other than guideline:
QSAR predictions were conducted using ECOSAR v.1.11 (2011) using the QSARs for aliphatic amines and neutral organics
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid

Test organisms

Test organisms (species):
other: Daphnid
Details on test organisms:
Daphnid (not specified)

Results and discussion

Effect concentrations
Duration:
21 d
Dose descriptor:
other: ChV
Effect conc.:
7.2 mg/L
Conc. based on:
test mat.
Basis for effect:
not specified
Remarks on result:
other: Predicted value

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
QSAR predictions were conducted using the latest version of US EPA's ECOSAR (v.1.11, 2011) using input values of -0.14 for log Kow and 3.37E+005 mg/L for water solubility in the QSAR for aliphatic amines. The model predicted a chronic value for daphnid of 7.2 mg/L. Because the substance falls within the applicability domain of the models these predicted values can be considered reliable.