Reaction mass of 2-hydroxy-1,3-propanediyl bismethacrylate and 101525-90-0

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

key study

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 Toolbox Version 3.4

2. SMILES
O=C(C(=C)C)OCC(COC(=O)C(=C)C)O

3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
sse attachment

Principles of method if other than guideline:

- Software tool(s) used including version: OECD Tollbox 4.1

- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification'

GLP compliance:

no

Specific details on test material used for the study:

SMILES Structure: O=C(C(=C)C)OCC(COC(=O)C(=C)C)O

Key result

Duration:

72 h

Dose descriptor:

EC50

Effect conc.:

64 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other:

Remarks:

QSAR

Key result

Duration:

72 h

Dose descriptor:

NOEC

Effect conc.:

20 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other:

Remarks:

QSAR

Acute toxicity algae:

Toxicity of the Glycerol 1,3 dimethacrylate (158 mg/L) is predicted from category members using trend analysis based on 13 values within the range 2.25 - 836 mg/L from 13 category members. Category members are single chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having experimental data are listed in the category.

The target chemical FALLS within applicability domain of the prediction. The data used for calculating the current prediction is taken from 14 experimental values

The predicted value of 158 mg/l is based on Log Kow 1,16 which is calculated by KowWin.

2-hydroxy-1,3-propanediyl bismethacrylate is an ether methacrylate and log Kow of ethers are known to be difficult to calculate. The measured log Kow is 2,05. The QSAR prediction was used to create the diagram which shows the correlation of the acute toxicity to algae of the different methacrylates and log Kow. The correlation of EC50 was consistent with increasing log Kow therefore the graphic was used to find the EC50 Algae of  2-hydroxy-1,3-propanediyl bismethacrylate with log Kow 2,05.

An EC50, log (1/mol/l) of 3,55 was read from the y-axis of the diagram  which  recalculated corresponds to an EC50 of 64 mg/l.

Chronic toxicity algae:

The predicted value of 68,9 mg/l is based on Log Kow 1,16 which is calculated by KowWin. 2-hydroxy-1,3-propanediyl bismethacrylate is an ether methacrylate and log Kow of ethers are known to be difficult to calculate. The measured log Kow is 2,05. The QSAR prediction was used to create the diagram which shows the correlation of the chronic toxicity to algae of the different methacrylates and log Kow. The correlation of NOEC  was consistent with increasing log Kow therefore the diagram was used to read NOEC  Algae of  2-hydroxy-1,3-propanediyl bismethacrylate with log Kow 2,05. A NOEC, log (1/mol/l) of 4,05 was read from the y-axis of the diagram which  recalculated corresponds to a NOEC of 20 mg/l.

Conclusions:

EC50 Algae (72 h): 64 mg/l
NOEC Algae (72h): 20 mg/l

Executive summary:

Acute toxicity algae:

Toxicity of the Glycerol 1,3 dimethacrylate (158 mg/L) is predicted from category members using trend analysis based on 13 values within the range 2.25 - 836 mg/L from 13 category members. Category members are single chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having experimental data are listed in the category.

The target chemical FALLS within applicability domain of the prediction. The data used for calculating the current prediction is taken from 14 experimental values

The predicted value of 158 mg/l is based on Log Kow 1,16 which is calculated by KowWin.

2-hydroxy-1,3-propanediyl bismethacrylate is an ether methacrylate and log Kow of ethers are known to be difficult to calculate. The measured log Kow is 2,05. The QSAR prediction was used to create the diagram which shows the correlation of the acute toxicity to alga of the different methacrylates and log Kow. The correlation of EC50 was consistent with increasing log Kow therefore the graphic was used to find the EC50 Algae of  2-hydroxy-1,3-propanediyl bismethacrylate with log Kow 2,05.

A EC50, log (1/mol/l) of 3,55 was read from the y-axis of the diagram  which recalculated corresponds to an EC50 of 64 mg/l.

Chronic toxicity algae:

The predicted value of 68,9 mg/l is based on Log Kow 1,16 which is calculated by KowWin. 2-hydroxy-1,3-propanediyl bismethacrylate is an ether methacrylate and log Kow of ethers are known to be difficult to calculate. The measured log Kow is 2,05. The QSAR prediction was used to create the diagram which shows the correlation of the chronic toxicity to alga of the different methacrylates and log Kow. The correlation of NOEC  was consistent with increasing log Kow therefore the diagram was used to read NOEC Algae of  2-hydroxy-1,3-propanediyl bismethacrylate with log Kow 2,05. A NOEC, log (1/mol/l) of 4,05 was read from the y-axis of the diagram which  recalculated corresponds to a NOEC of 20 mg/l.

Description of key information

Toxicity of the Glycerol 1,3 dimethacrylate (158 mg/L) is predicted from category members using trend analysis based on 13 values within the range 2.25 - 836 mg/L from 13 category members. Category members are single chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having experimental data are listed in the category.

The target chemical FALLS within applicability domain of the prediction. The data used for calculating the current prediction is taken from 14 experimental values

The predicted value of 158 mg/l is based on Log Kow 1,16 which is calculated by KowWin.

2-hydroxy-1,3-propanediyl bismethacrylate is an ether methacrylate and log Kow of ethers are known to be difficult to calculate. The measured log Kow is 2,05. The QSAR prediction was used to create the diagram which shows the correlation of the acute toxicity to alga of the different methacrylates and log Kow. The correlation of EC50 was consistent with increasing log Kow therefore the graphic was used to find the EC50 Alga of  2-hydroxy-1,3-propanediyl bismethacrylate with log Kow 2,05.

An EC50, log (1/mol/l) of 3,55 was read from the y-axis of the diagram  which  recalculated corresponds to an EC50 of 64 mg/l.

Chronic toxicity alga:

The predicted value of 68,9 mg/l is based on Log Kow 1,16 which is calculated by KowWin. 2-hydroxy-1,3-propanediyl bismethacrylate is an ether methacrylate and log Kow of ethers are known to be difficult to calculate. The measured log Kow is 2,05. The QSAR prediction was used to create the diagram which shows the correlation of the chronic toxicity to alga of the different methacrylates and log Kow. The correlation of NOEC  was consistent with increasing log Kow therefore the diagram was used to read NOEC  Algae of  2-hydroxy-1,3-propanediyl bismethacrylate with log Kow 2,05. A NOEC, log (1/mol/l) of 4,05 was read from the y-axis of the diagram which  recalculated corresponds to a NOEC of 20 mg/l.

Key value for chemical safety assessment

EC50 for freshwater algae:

64 mg/L

EC10 or NOEC for freshwater algae:

20 mg/L