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Toxicological information

Repeated dose toxicity: oral

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Administrative data

Endpoint:
repeated dose toxicity: oral, other
Remarks:
Both subchronic and subacute data were used in the prediction. As a worst case, the prediction is submitted as subacute toxicity data.
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 using an appropriate category based on the current endpoint. The prediction was further refined using 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:
Version / remarks:
REACH Guidance on QSARs R.6, May/July 2008
Principles of method if other than guideline:
The repeat dose oral toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Organic Functional Groups category, and the results were refined using relevant subcategories.
GLP compliance:
no
Remarks:
As no laboratory work took place, compliance with GLP is not required.
Limit test:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
L-Glutamic acid, N-coco acyl derivs., monosodium salts
EC Number:
269-087-2
EC Name:
L-Glutamic acid, N-coco acyl derivs., monosodium salts
Cas Number:
68187-32-6
Molecular formula:
R-C6H7NO5Na R: Coco fatty acid residue
IUPAC Name:
l-Glutamic acid, N-coco acyl derivs., monosodium salts
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
Sex:
not specified

Administration / exposure

Route of administration:
oral: unspecified

Results and discussion

Effect levels

Key result
Dose descriptor:
NOAEL
Effect level:
73 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:
other: The prediction was based on the average value from the 4 nearest neighbours compared by prediction descriptors.

Target system / organ toxicity

Critical effects observed:
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 4 nearest neighbours

Domain logical expression: Result: In Domain

Substances used for the prediction should be:

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

Not categorized (Repeat dose (HESS))

Not bioavailable (Lipinski Rule Oasis)

Applicant's summary and conclusion

Conclusions:
Based on the modelled conditions, the subacute NOAEL of the test material in the rat was determined to be ca. 73 mg/kg bw/day
Executive summary:

The repeat dose oral toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Organic Functional Groups profiler, and the results were refined using relevant subcategories (repeat dose (HESS) and lipinski rules oasis).

The target chemical falls within the applicability domain of the prediction.

Based on the modelled conditions, the subacute NOAEL of the test material in the rat was determined to be ca. 73 mg/kg bw/day.