Reaction products of Glycerin formal and 2-Propenoic acid, 2-methyl-, methyl ester

Toxicity to aquatic algae and cyanobacteria

Administrative data

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
Isomer 1, 5-Methacryloyloxy-1,3-dioxan : C=C(C)C(OC1COCOC1)=O
Isomer 2 4-Methacryloyloxymethyl-1,3-dioxolan : C=C(C)C(OCC1OCOC1)=O

Data source

Reference

Reference 1

Reference Type:

other company data

Title:

Unnamed

Year:

2017

Report date:

2017

Reference 2

Reference Type:

other company data

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Principles of method if other than guideline:

- Software tool(s) used including version:
- Model used: OECD Toolbox 3.4

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Reaction products of Glycerin formal and 2-Propenoic acid, 2-methyl-, methyl ester

EC Number:

945-527-5

Cas Number:

1620329-57-8

Molecular formula:

C8H12O4

IUPAC Name:

Reaction products of Glycerin formal and 2-Propenoic acid, 2-methyl-, methyl ester

Specific details on test material used for the study:

SMILES
Isomer 1, 5-Methacryloyloxy-1,3-dioxan : C=C(C)C(OC1COCOC1)=O
Isomer 2 4-Methacryloyloxymethyl-1,3-dioxolan : C=C(C)C(OCC1OCOC1)=O

Results and discussion

Effect concentrations

Effect concentrations 1

Key result

Duration:

72 h

Dose descriptor:

EC50

Effect conc.:

265 mg/L

Basis for effect:

growth rate

Remarks on result:

other: QSAR

Remarks:

both isomers

Effect concentrations 2

Key result

Duration:

72 h

Dose descriptor:

NOEC

Effect conc.:

197 mg/L

Basis for effect:

growth rate

Remarks on result:

other: QSAR

Remarks:

both isomers

Any other information on results incl. tables

Toxicity (EC50, 72 h, growth rate) of the target chemical (265 mg/L) is predicted from category members using trend analysis based on 15 values within the range 2.28 - 836 mg/L from 15 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 16 experimental values selected from the following database(s):

1. ECHA CHEM (studies on behalf of the registrant)

Toxicity (NOEC, 72 h, growth rate) of the target chemical (196 mg/L) is predicted from category members using trend analysis based on

14 values within the range 0.251 - 400 mg/L from 14 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 (see Section 4.3 for details).

The data used for calculating the current prediction is taken from 15 experimental values selected from

the following database(s):

1. ECHA CHEM (studies on behalf of the registrant)

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Remarks:

The target chemical FALLS within applicability domain of the prediction

Conclusions:

EC50 Algae (72 h) growth rate of Glycerolformal methacrylate (both isomers) is 265 mg/l based mg/l on QSAR predicted from category members using trend analysis is predicted from category members using trend analysis based on
15 values within the range 2.28 - 836 mg/L from 15 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.

NOEC Algae (72h) growth rate of Glycerolformal methacrylate (both isomers) is 197 mg/l based mg/l on QSAR predicted from category members using trend analysis is predicted from category members using trend analysis based on
15 values within the range 0.251 - 400 mg/L from 15 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.

Executive summary:

EC50 Algae (72 h) growth rate of Glycerolformal methacrylate (both isomers) is 265 mg/l based mg/l on QSAR predicted from category members using trend analysis is predicted from category members using trend analysis based on

15 values within the range 2.28 - 836 mg/L from 15 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.

NOEC Algae (72h) growth rate of Glycerolformal methacrylate (both isomers) is 197 mg/l based mg/l on QSAR predicted from category members using trend analysis is predicted from category members using trend analysis based on

15 values within the range 0.251 - 400 mg/L from 15 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.