2-ethoxy-2-oxoethyl ethyl malonate

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

December 2018

Reliability:

1 (reliable without restriction)

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

Data source

Reference

Reference Type:

other: QSAR prediction

Title:

PQSAR v1.1

Author:

ProtoQSAR

Year:

2018

Bibliographic source:

ProtoQSAR SL, CEEI Valencia, Parque Tecnológico de Valencia, Avda. Benjamin Franklin 12, Desp. 8, 46980 Paterna (Valencia), Tel. [phone], E-mail. [e-mail]

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 201 (Alga, Growth Inhibition Test)

Deviations:

no

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

3-~{O}-(2-ethoxy-2-oxoethyl) 1-~{O}-ethyl propanedioate

Cas Number:

100074-94-0

Molecular formula:

C9H14O6

IUPAC Name:

3-~{O}-(2-ethoxy-2-oxoethyl) 1-~{O}-ethyl propanedioate

Specific details on test material used for the study:

SMILES: CCOC(=O)CC(=O)OCC(=O)OCC

Test organisms

Test organisms (species):

Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)

Study design

Test type:

static

Water media type:

freshwater

Total exposure duration:

72 h

Results and discussion

Effect concentrations

Duration:

72 h

Dose descriptor:

EC50

Effect conc.:

151.35 mg/L

Nominal / measured:

estimated

Basis for effect:

growth rate

Remarks on result:

other: QSAR prediction

Any other information on results incl. tables

The estimated value for 2-ethoxy-2-oxoethyl ethyl malonate after applying the ProtoQSAR model for acute aquatic toxicity in algae was 151.35 mg/L. The prediction, falls inside the applicability domain of the model and is considered reliable.

Applicant's summary and conclusion

Conclusions:

PQSAR model for acute aquatic toxicity in algae estimated for 2-ethoxy-2-oxoethyl ethyl malonate an acute 72h EC50 to algae of 151.35 mg/L. The prediction, falls inside the applicability domain of the model and is considered reliable. Furthermore, and based on the Globally Harmonized System of Classification and Labelling (CLP/GHS) , the test compound is considerd non-toxic / non-harmful. 151.35 mg/L > 100.

Executive summary:

Regulatory purpose: This study was designed to generate estimated in silico (nontesting) data for acute aquatic toxicity in algae for 2-ethoxy-2-oxoethyl ethyl malonate to be used in the regulatory framework of REACH. EC50 = 151.35 mg/L

On the basis of EC 50 value it is concluded that this test chemical is considered to be not classified according to CLP classification criteria.