reaction mass of N,N'-ethane-1,2-diylbis(decanamide) and 12-hydroxy-N-[2-[(1-oxodecyl)amino]ethyl]octadecanamide and N,N'-ethane-1,2-diylbis(12-hydroxyoctadecanamide)

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The estimation is based on ECOSAR v1.11. Two models are available, the estimation from the ECOSAR Class (Amides) and the Neutral Organic Structure Analysis Relationship (baseline toxicity).

GLP compliance:

no

Specific details on test material used for the study:

CAS Number: 123-26-2SMILES : CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)OCHEM : 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamideMOL FOR: C38 H76 N2 O4MOL WT : 625.04

Analytical monitoring:

not required

Test organisms (species):

Daphnia sp.

Test type:

other: Calculation

Total exposure duration:

48 h

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

0 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Remarks on result:

other: Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.

Validity criteria fulfilled:

not applicable

Conclusions:

The lowest calculated LC50 to daphnia for the test material is 6.19E-7 mg/L.

Executive summary:

The short-term toxicity to daphnia is calculated by ECOSAR v1.11. Lowest LC50 value for daphnia, 48 h, is 6.19E-7 mg/L derived by calculation from ECOSAR class Amides. The calculated LC50 Neutral Organic Structure Analysis Relationship (baseline toxicity) for daphnia is 2.99E-6 mg/L. The estimated water solubility of the test substance is 2.409E-8 mg/L. Hence, the chemical may not be soluble enough to measure this predicted effect.

The EPA recommends that empirical measures provide better results. However, empirical studies have not been done, so that we adapt the prediction.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The estimation is based on ECOSAR v1.11. Two models are available, the estimation from the ECOSAR Class (Amides) and the Neutral Organic Structure Analysis Relationship (baseline toxicity).

GLP compliance:

no

Specific details on test material used for the study:

CAS Number: 146781-64-8SMILES : CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)OCHEM : N-[2-(decanoylamino)ethyl]-12-hydroxyoctadecanamideMOL FOR: C30 H60 N2 O3MOL WT : 496.82

Analytical monitoring:

not required

Test organisms (species):

Daphnia sp.

Test type:

other: Calculation

Total exposure duration:

48 h

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

0 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Remarks on result:

other: Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.

Validity criteria fulfilled:

not applicable

Conclusions:

The lowest calculated LC50 to daphnia for the test material is 1.78E-4 mg/L.

Executive summary:

The short-term toxicity to daphnia is calculated by ECOSAR v1.11. Lowest LC50 value for daphnia, 48 h, is 1.78E-4 mg/L derived by calculation from ECOSAR class Amides. The calculated LC50 Neutral Organic Structure Analysis Relationship (baseline toxicity) for daphnia is 5.97E-4 mg/L. The estimated water solubility of the test substance is 4.019E-5 mg/L. Hence, the chemical may not be soluble enough to measure this predicted effect.

The EPA recommends that empirical measures provide better results. However, empirical studies have not been done, so that we adapt the prediction.

Reference 3

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

The estimation is based on ECOSAR v1.11. Two models are available, the estimation from the ECOSAR Class (Amides) and the Neutral Organic Structure Analysis Relationship (baseline toxicity).

GLP compliance:

no

Specific details on test material used for the study:

CAS Number: 51139-08-3SMILES : CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCHEM : N-[2-(decanoylamino)ethyl]decanamideMOL FOR: C22 H44 N2 O2MOL WT : 368.61

Analytical monitoring:

not required

Test organisms (species):

Daphnia sp.

Test type:

other: Calculation

Total exposure duration:

48 h

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

0.02 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Validity criteria fulfilled:

not applicable

Conclusions:

The lowest calculated LC50 to daphnia for the test material is 0.020 mg/L.

Executive summary:

The short-term toxicity to daphnia is calculated by ECOSAR v1.11. Lowest LC50 value for daphnia, 48 h, is 0.020 mg/L derived by calculation from ECOSAR class Amides. The calculated LC50 Neutral Organic Structure Analysis Relationship (baseline toxicity) for daphnia is 0.050 mg/L.

The EPA recommends that empirical measures provide better results. However, empirical studies have not been done, so that we adapt the prediction.

Reference 4

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: Annex V, C2

GLP compliance:

yes

Details on test solutions:

Identity and concentration of auxiliary solvent for dispersal: Tween 80. Used at 100mg/l.

Test organisms (species):

other aquatic crustacea: DM

Duration:

48 h

Dose descriptor:

EC50

Remarks on result:

other: > limit of solubility

Description of key information

The experimental study on the short-term toxicity to Daphnia magna reports that the EC50 (48 h) exceeds the limit of solubility. Observed immobilisation of Daphnia is considered to be caused by physical effects.

In addition, the short-term toxicity to aquatic invertebrates calculated by ECOSAR v1.11 is provided for each of the three components of the amide mixture. The ECOSAR predictions shall provide an overview on the impact of the components on the endpoint.

The predicted toxicity of the components is highest for 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide (CAS 123-26-2) with an LC50 of 6.19E-7 mg/L. Hence, this component provides the most conservative value to estimate toxicity of the substance.

Nevertheless, the EPA recommends that empirical measures should be preferentially considered. Therefore, the toxicity could not be estimated because of limited solubility.