Reaction products of 2-(chloromethyl)oxirane and glycerol

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

25 FEB 2022

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
OECD QSAR toolbox v4.5, Danish QSAR battery model

2. MODEL (incl. version number)
Danish QSAR battery model which integrate predictions from two individual models (Leadscope and SciQSAR) for the same endpoint
Leadscope Predictive Data Miner, a component of Leadscope Enterprise version 3.1.1‐10.
SciMatics SciQSAR version 2.3.0.0.12.

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(OCC2CO2)C(COCC3CO3)OCC1CO1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the QMRF attached under 'Attached justification'.

5. APPLICABILITY DOMAIN
Please refer to the QPRF attached under 'Attached justification'.

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSARs Chapter R.6

Version / remarks:

May 2008

Principles of method if other than guideline:

- Software tool(s) used including version: OECD QSAR toolbox v4.5, Danish QSAR battery model
- Model(s) used: Danish QSAR battery model which integrate predictions from two individual models(Leadscope and SciQSAR) for the same endpoint
Leadscope Predictive Data Miner, a component of Leadscope Enterprise version 3.1.1‐10.
SciMatics SciQSAR version 2.3.0.0.12.
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification'

Specific details on test material used for the study:

C(OCC2CO2)C(COCC3CO3)OCC1CO1

Test organisms (species):

Daphnia magna

Total exposure duration:

48 h

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

105 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Validity criteria fulfilled:

yes

Remarks:

Scientifically accepted calculation method.

Conclusions:

The short term toxicity to aquatic invertebrates of test item was determined to be EC50(48h) 105 mg/L using the Danish QSAR battery model which integrate predictions from two individual models for the same endpoint.

Executive summary:

The short term toxicity to aquatic invertebrates of test item was determined to be EC50(48h) 105 mg/L using the Danish QSAR battery model which integrate predictions from two individual models for the same endpoint. The prediction was in the applicability domain of the model.

 

Description of key information

The short term toxicity to aquatic invertebrates of test item was determined to be EC50(48h) 105 mg/L using the Danish QSAR battery model which integrate predictions from two individual models for the same endpoint. The prediction was in the applicability domain of the model.