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

Endpoint summary

Key value for chemical safety assessment

Effects on fertility

Description of key information

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.

Link to relevant study records

Reference

Reference 1

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.

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.

Specific details on test material used for the study:

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

Species:

rat

Strain:

not specified

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.

Critical effects observed:

not specified

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.

Critical effects observed:

not specified

Reproductive effects observed:

not specified

Treatment related:

not specified

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)

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.

Reference 2

Endpoint:

reproductive toxicity, other

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Read across from predictions performed using the OECD QSAR Toolbox. Categories were formed based on the current endpoint (DART scheme). Predictions were further refined from a large database of metadata based on relevant subcategories.

Justification for type of information:

The test material is a mixture of many substances. Comparison of all substances has shown that they are expected to have the same reprotoxicity. For the purpose of addressing the reprotoxicity endpoint the most concentrated component of the test material was assessed individually.

Reason / purpose for cross-reference:

read-across source

Dose descriptor:

NOEL

Effect level:

299 mg/kg bw/day (nominal)

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Read across

Remarks on result:

not measured/tested

Critical effects observed:

not specified

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: Read across

Remarks on result:

not measured/tested

Critical effects observed:

not specified

Reprotoxicity of the target chemical NOEL in rat of 299 mg/kg bw/day is derived by read across from the predictions carried out on the individual substance.

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 potential of the component present at the highest concentration in the test material to cause reprotoxicity was modelled using the OECD Toolbox. The NOEL was predicted to be 299 mg/kg bw/day. It has been shown, using read across, that all components are expected to have the same toxicity. Therefore, the reprotoxicity NOEL of the target chemical in rat is predicted to be 299 mg/kg bw/day.

Effect on fertility: via oral route

Endpoint conclusion:

no adverse effect observed

Effect on fertility: via inhalation route

Endpoint conclusion:

no study available

Effect on fertility: via dermal route

Endpoint conclusion:

no study available

Additional information

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.

Effects on developmental toxicity

Description of key information

DART

Toxicity of the target chemical was predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The target chemical was predicted to fall under the category "Not known precedent reproductive and developmental toxic potential".

OECD Toolbox

Based on the modelled conditions, the developmental NOEL of the test material in the rabbit was determined to be ca. 201 mg/kg bw/day.

Link to relevant study records

Reference

Reference 1

Endpoint:

developmental toxicity

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

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

Qualifier:

according to guideline

Guideline:

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

Principles of method if other than guideline:

This QSAR model is based on profiling results obtained by DART scheme v 1.0. This QSAR is used for identifying chemicals with structural features associated with the potential to act as reproductive or developmental toxicants. The outcome of the QSAR model is “Known precedent reproductive and developmental toxic potential”, if the chemical has a potential to cause toxicity. The corresponding category is displayed in the report generated for the obtained prediction. The other prediction results are “Not known precedent reproductive and developmental toxic potential” if the toxic potential of the input chemical is not known, and “Not covered by current version of the decision tree” if the identified structural features are not objects of the tree.

GLP compliance:

no

Remarks:

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

Specific details on test material used for the study:

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

Species:

other: QSAR; species not specified

Dose descriptor:

other: Reproductive toxicity potential

Based on:

test mat.

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential.

Remarks on result:

not measured/tested

Abnormalities:

not specified

Dose descriptor:

other: Developmental toxicity potential

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Not known reproductive and developmental toxic potential

Remarks on result:

not measured/tested

Abnormalities:

not specified

Developmental effects observed:

not specified

Treatment related:

not specified

Toxicity of the target chemical (Not known precedent reproductive and developmental toxic potential) is predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The current prediction has no applicability domain.

Conclusions:

Toxicity of the target chemical was predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The target chemical was predicted to fall under the category "Not known precedent reproductive and developmental toxic potential".

Executive summary:

The potential of the test material to cause reproductive or developmental toxicity was modelled using the OECD QSAR Toolbox. This QSAR model is based on profiling results obtained by DART scheme v 1.0. This QSAR is used for identifying chemicals with structural features associated with the potential to act as reproductive or developmental toxicants.

Toxicity of the target chemical was predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The target chemical was predicted to fall under the category "Not known precedent reproductive and developmental toxic potential".

Reference 2

Endpoint:

developmental toxicity

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Read across from results derived from a (Q)SAR model, with limited documentation / justificat ion, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source.

Justification for type of information:

The test material is a mixture of many substances. Comparison of all substances has shown that they are expected to have the same developmental toxicity. For the purpose of addressing the developmental toxicity endpoint the most concentrated component of the test material was assessed individually.

Reason / purpose for cross-reference:

read-across source

Dose descriptor:

other: Reproductive toxicity potential

Based on:

not specified

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential.

Remarks on result:

not measured/tested

Abnormalities:

not specified

Dose descriptor:

other: Developmental toxicity potential

Based on:

not specified

Sex:

not specified

Basis for effect level:

other: Not known precedent reproductive and developmental toxic potential.

Remarks on result:

not measured/tested

Abnormalities:

not specified

Developmental effects observed:

not specified

Toxicity of the target chemical (Not known precedent reproductive and developmental toxic potential) is predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The current prediction has no applicability domain.

Conclusions:

Based on the modelled conditions, the developmental toxicity of the target chemical is predicted to be "Not known precedent reproductive and developmental toxic potential".

Executive summary:

The potential of the component present at the highest concentration in the test material to cause developmental toxicity was modelled using the DART QSAR model in the OECD Toolbox. A prediction of "Not known precedent reproductive and developmental toxic potential" was obtained. It has been shown, using read across, that all components are expected to have the same toxicity. Therefore, the developmental toxicity of the target chemical is predicted to be "Not known precedent reproductive and developmental toxic potential".

Reference 3

Endpoint:

developmental toxicity

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.

Qualifier:

according to guideline

Guideline:

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

Specific details on test material used for the study:

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

Species:

rabbit

Strain:

not specified

Dose descriptor:

NOEL

Effect level:

201 mg/kg bw/day (nominal)

Based on:

test mat.

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.

Abnormalities:

not specified

Dose descriptor:

NOEL

Effect level:

201 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.

Abnormalities:

not specified

Developmental effects observed:

not specified

Treatment related:

not specified

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: In Domain

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)

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

Conclusions:

Based on the modelled conditions, the developmental NOEL of the test material in the rabbit was determined to be ca. 201 mg/kg bw/day.

Executive summary:

The developmental toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using organic functional groups, and the results were refined using relevant subcategories (DART scheme and chemical elements).

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

Based on the modelled conditions, the developmental toxicity NOEL of the test material in the rabbit was determined to be ca. 201 mg/kg bw/day.

Reference 4

Endpoint:

developmental toxicity

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Read across from predictions performed using the OECD QSAR Toolbox. Categories were formed based on the current endpoint (DART scheme). Predictions were further refined from a large database of metadata based on relevant subcategories.

Justification for type of information:

The test material is a mixture of many substances. Comparison of all substances has shown that they are expected to have the same developmental toxicity. For the purpose of addressing the developmental toxicity endpoint the most concentrated component of the test material was assessed individually.

Reason / purpose for cross-reference:

read-across source

Dose descriptor:

NOEL

Effect level:

201 mg/kg bw/day (nominal)

Based on:

test mat.

Basis for effect level:

other: Read across

Remarks on result:

not measured/tested

Abnormalities:

not specified

Dose descriptor:

NOEL

Effect level:

201 mg/kg bw/day (nominal)

Based on:

test mat.

Sex:

not specified

Basis for effect level:

other: Read across

Remarks on result:

not measured/tested

Abnormalities:

not specified

Developmental toxicity of the target chemical NOEL in rabbit of 201 mg/kg bw/day is derived by read across from the predictions carried out on the individual substances.

Conclusions:

Based on the modelled conditions, the developmental toxicity of the target chemical is predicted to have a NOEL of 201 mg/kg bw/day in rabbit.

Executive summary:

The potential of the component present at the highest concentration in the test material to cause developmental toxicity was modelled using the OECD Toolbox. The NOEL was predicted to be 201 mg/kg bw/day. It has been shown, using read across, that all components are expected to have the same toxicity. Therefore, the developmental toxicity of the target chemical is predicted to have a NOEL of 201 mg/kg/day in rabbit.

Effect on developmental toxicity: via oral route

Endpoint conclusion:

no adverse effect observed

Effect on developmental toxicity: via inhalation route

Endpoint conclusion:

no study available

Effect on developmental toxicity: via dermal route

Endpoint conclusion:

no study available

Additional information

DART

The potential of the test material to cause reproductive or developmental toxicity was modelled using the OECD QSAR Toolbox. This QSAR model is based on profiling results obtained by DART scheme v 1.0. This QSAR is used for identifying chemicals with structural features associated with the potential to act as reproductive or developmental toxicants.

Toxicity of the target chemical was predicted by QSAR "Developmental and Reproductive Toxicity (DART)". The target chemical was predicted to fall under the category "Not known precedent reproductive and developmental toxic potential".

OECD Toolbox

The developmental toxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using organic functional groups, and the results were refined using relevant subcategories (DART scheme and chemical elements).

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

Based on the modelled conditions, the developmental toxicity NOEL of the test material in the rabbit was determined to be ca. 201 mg/kg bw/day.

Justification for classification or non-classification

In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No. 1272/2008 (CLP), the substance does not require classification with respect to reproductive or developmental toxicity.