Reaction mass of sodium hydrogen N-(1-oxooctadecyl)-L-glutamate and sodium hydrogen N-(1-oxohexadecyl)-L-glutamate

Toxicity to reproduction

Administrative data

Endpoint:

reproductive toxicity, other

Remarks:

other: QSAR prediction

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2015

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

The following prediction was performed using the OECD QSAR Toolbox by categorising using an appropriate category based on the current endpoint (DART scheme v.1.0). The prediction was further refined from a large database of metadata based on relevant subcategories.

Justification for type of information:

See Read Across Justification in Section 13.

Cross-reference

Reason / purpose for cross-reference:

other: Target record

Reference

Endpoint:

reproductive toxicity, other

Remarks:

Toxicity to reproduction QSAR

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: QSAR conducted on read across material

Justification for type of information:

See Read Across Justification in Section 13.

Reason / purpose for cross-reference:

read-across source

Dose descriptor:

other: Reproductive toxicity potential

Based on:

not specified

Sex:

not specified

Basis for effect level:

other: Undefined reproductive toxicity potential

Remarks on result:

not measured/tested

Remarks:

The prediction was based on the undefined reproductive potential from the 5 nearest neighbours compared by prediction descriptors.

Dose descriptor:

other: Reproductive toxicity potential

Generation:

other: Not specified

Based on:

not specified

Sex:

not specified

Basis for effect level:

developmental neurotoxicity

other: Undefined reproductive toxicity potential

Remarks on result:

not measured/tested

Remarks:

The prediction was based on the undefined reproductive potential from the 5 nearest neighbours compared by prediction descriptors.

Data source

Reference

Reference Type:

other: QSAR

Title:

23.01.2015 13:34 [R]: Undefined reproductive potential; Estimation for Reproductive toxicity

Author:

Anon.

Year:

2015

Bibliographic source:

OECD QSAR Toolbox v 3.3

Materials and methods

Test guideline

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.

The prediction was performed using a read-across approach based on analogues within the DART v1.0 category.

GLP compliance:

no

Remarks:

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

Limit test:

no

Test material

Test material information

Constituent 1

Reference substance name:

2,2'-diallyl-4,4'-sulfonyldiphenol

EC Number:

411-570-9

EC Name:

2,2'-diallyl-4,4'-sulfonyldiphenol

Cas Number:

41481-66-7

Molecular formula:

Hill formula: C18 H18 O4 S CAS formula: C18 H18 O4 S

IUPAC Name:

2,2'-Diallyl-4,4'-sulfonyldiphenol

Details on test material:

Main constituent of the multi-constituent test material

Results and discussion

Results: P0 (first parental generation)

Effect levels (P0)

Dose descriptor:

other: Reproductive toxicity potential

Based on:

not specified

Sex:

not specified

Basis for effect level:

other: Undefined reproductive toxicity potential

Remarks on result:

not measured/tested

Remarks:

The prediction was based on the undefined reproductive potential from the 5 nearest neighbours compared by prediction descriptors.

Results: F1 generation

Effect levels (F1)

Dose descriptor:

other: Reproductive toxicity potential

Generation:

other: Not specified

Based on:

not specified

Sex:

not specified

Basis for effect level:

developmental neurotoxicity

other: Undefined reproductive toxicity potential

Remarks on result:

not measured/tested

Remarks:

The prediction was based on the undefined reproductive potential from the 5 nearest neighbours compared by prediction descriptors.

Overall reproductive toxicity

Reproductive effects observed:

not specified

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "Reproductive toxicity"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" and("b" and(not "c")) ) and "d") and "e") and("f" and "g") )

Domain logical expression index: "a"

Referential boundary:The target chemical should be classified as Not known precedent reproductive and developmental toxic potential by DART scheme v.1.0

Domain logical expression index: "b"

Referential boundary:The target chemical should be classified as Not categorized by OECD HPV Chemical Categories

Domain logical expression index: "c"

Referential boundary:The target chemical should be classified as C9 Aromatics hydrocarbon solvents OR Primary amines OR Secondary amines by OECD HPV Chemical Categories

Domain logical expression index: "d"

Referential boundary:The target chemical should be classified as Discrete chemical AND Dissociating chemical by Substance Type ONLY

Domain logical expression index: "e"

Referential boundary:The target chemical should be classified as Extremely fast by Hydrolysis half-life (pH 6.5-7.4) ONLY

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.323

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.43

Applicant's summary and conclusion

Conclusions:

Based on the modelled conditions, the substance is categorised as "Undefined reproductive potential".

Executive summary:

The potential of the test material to cause reproductive 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.

The prediction was performed using a read-across approach based on analogues within the DART v1.0 category.

Based on the modelled conditions, the substance is categorised as "Undefined reproductive potential". The target chemical falls within the applicability domain of the prediction.