2-dimethylaminoethanol

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:

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

Test material information

Constituent 1

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.