Reaction mass of L-Glutamic acid, N-coco acyl derivs., monosodium salts and sodium hydrogen N-(1-oxooctadecyl)-L-glutamate

Toxicity to reproduction

Administrative data

Endpoint:

reproductive toxicity, other

Remarks:

Not specified

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The following prediction was performed using the OECD QSAR Toolbox. A category was formed based on the current endpoint (DART scheme). The prediction was further refined from a large database of metadata based on relevant subcategories.

Justification for type of information:

A read-across justification report (RAAF) will be added to Section 13 as soon as possible.

Data source

Reference

Reference Type:

other: QSAR Prediction

Title:

QSAR Toolbox prediction for single chemical.

Author:

Anon.

Year:

2018

Bibliographic source:

OECD QSAR Toolbox v 4.2

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: REACH Guidance on QSARs R.6, May/July 2008

GLP compliance:

no

Remarks:

As no laboratory work took place, compliance with GLP is not required.

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of L-Glutamic acid, N-coco acyl derivs., monosodium salts and sodium hydrogen N-(1-oxooctadecyl)-L-glutamate

EC Number:

915-656-1

Molecular formula:

Not specified (UVCB substance)

IUPAC Name:

Reaction mass of L-Glutamic acid, N-coco acyl derivs., monosodium salts and sodium hydrogen N-(1-oxooctadecyl)-L-glutamate

Test material form:

solid: particulate/powder

Details on test material:

-Appearance: White to pale yellow powder

Specific details on test material used for the study:

SMILES: CCCCCCCCCCCCCCCC(=O)NC(CCC(O)=O)C(O)=O

Test animals

Species:

rat

Strain:

not specified

Results and discussion

Results: P0 (first parental generation)

Effect levels (P0)

Dose descriptor:

NOEL

Effect level:

299 mg/kg bw/day (nominal)

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Based on the modelled conditions.

Remarks on result:

not measured/tested

Remarks:

The prediction was based on the average value from the 5 nearest neighbours compared by prediction descriptors.

Target system / organ toxicity (P0)

Critical effects observed:

not specified

Results: F1 generation

Effect levels (F1)

Dose descriptor:

NOEL

Generation:

other: Not specified

Effect level:

299 mg/kg bw/day (nominal)

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Based on the modelled conditions

Remarks on result:

not measured/tested

Remarks:

The prediction was based on the average value from the 5 nearest neighbours compared by prediction descriptors.

Target system / organ toxicity (F1)

Critical effects observed:

not specified

Overall reproductive toxicity

Reproductive effects observed:

not specified

Treatment related:

not specified

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: NOEL

Estimation method: Takes average value from the 5 nearest neighbours

Domain logical expression: Result: Outside of applicability domain, but analogues used in prediction are considered to be adequately similar.

Substances used for the prediction should be:

Carboxylic acid<OR>Organic amide and thioamide<OR>Surfactants - Anionic (Organic functional groups)

Not known precedent reproductive and developmental toxic potential (DART scheme)

Non binder, non cyclic structure (Estrogen Receptor Binding)

Group 14 - Carbon C; Group 15 - Nitrogen N; Group 16 - Oxygen O (Chemical elements)

Applicant's summary and conclusion

Conclusions:

Based on the modelled conditions, the Reprotoxicity NOEL of the test material in the rat was determined to be ca. 299 mg/kg bw/day.

Executive summary:

The reprotoxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Organic functional group, and the results were refined using relevant subcategories (DART scheme, estrogen receptor binding, chemical elements).

The target chemical falls outside of applicability domain, but analogues used in prediction are considered to be adequately similar.

Based on the modelled conditions, the reprotoxicity NOEL of the test material in the rat was determined to be ca. 299 mg/kg bw/day.