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Ecotoxicological information

Long-term toxicity to aquatic invertebrates

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Administrative data

Endpoint:
long-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
2019-04-15
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
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(C)CCO, 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
Title:
ECOSAR v1.11 (EpiSuite v4.11)
Author:
US EPA
Year:
2012
Bibliographic source:
The Quantitative Structure Activity Relationships (QSARs) presented in this program are used to predict the aquatic toxicity of chemicals based on their similarity of structure to chemicals for which the aquatic toxicity has been previously measured.  

Materials and methods

Test guideline
Guideline:
other: ECHA Guidance on QSARs R.6
Principles of method if other than guideline:
The long-term toxicity value (Chronic Value, ChV) of dimethylaminoethanol for fish and daphnid was determined by calculation. This calculation was performed by the computer program form US-EPA (EPIWIN software ECOSAR v1.11).

Test material

Constituent 1
Chemical structure
Reference substance name:
2-dimethylaminoethanol
EC Number:
203-542-8
EC Name:
2-dimethylaminoethanol
Cas Number:
108-01-0
Molecular formula:
C4H11NO
IUPAC Name:
2-(dimethylamino)ethanol
Specific details on test material used for the study:
CN(C)CCO

Sampling and analysis

Analytical monitoring:
not required

Test solutions

Vehicle:
no

Test organisms

Test organisms (species):
other: Daphnid; detailed species not reported

Study design

Test type:
other: QSAR estimation
Water media type:
freshwater
Limit test:
no

Test conditions

Reference substance (positive control):
not required

Results and discussion

Effect concentrations
Effect conc.:
7.253 mg/L
Nominal / measured:
estimated
Remarks on result:
other: Chronic value (ChV)
Details on results:
Result is an estimation by Ecosar v1.11 using 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 v1.11 using an extensive set of structure-activity relationships (SARs). The substance is classified as 'Aliphatic Amine'. The chronic value (ChV) estimated for daphnids is 7.3 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:

The long-term toxicity value (Chronic Value, ChV) of dimethylaminoethanol for fish and daphnid was determined by calculation. This calculation was performed by the software tool EPIWIN (ECOSAR v1.11).

As final result, a chronic value of ChV (daphnid) = 7.3 mg/L was calculated.

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