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 fish

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to fish

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

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).

Specific details on test material used for the study:

CAS Number: 123-26-2SMILES : O=C(NCCNC(=O)CCCCCCCCCCC(O)CCCCCC)CCCCCCCCCCC(O)CCCCCCCHEM : Octadecanamide, N,N -1,2-ethanediylbis[12-hydroxy-MOL FOR: C38 H76 N2 O4MOL WT : 625.04

Analytical monitoring:

not required

Test type:

other: Calculation

Total exposure duration:

96 h

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

0 mg/L

Basis for effect:

mortality (fish)

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.

Details on results:

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 fish for the test material is 4.1E-5 mg/L.

Executive summary:

The short-term toxicity to fish is calculated by ECOSAR v1.11. Lowest LC50 value for fish, 96 h, is 4.1E-5 mg/L derived by calculation from ECOSAR class Amides. The calculated LC50 Neutral Organic Structure Analysis Relationship (baseline toxicity) for fish is 2.23E-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 fish

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

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).

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 type:

other: Calculation

Total exposure duration:

96 h

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

0.003 mg/L

Basis for effect:

mortality (fish)

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 fish for the test material is 0.003 mg/L.

Executive summary:

The short-term toxicity to fish is calculated by ECOSAR v1.11. Lowest LC50 value for fish, 96 h, is 0.003 mg/L derived by calculation from ECOSAR class Amides. The calculated LC50 Neutral Organic Structure Analysis Relationship (baseline toxicity) for fish is 5.76E-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 fish

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

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).

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 type:

other: Calculation

Total exposure duration:

96 h

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

0.124 mg/L

Basis for effect:

mortality (fish)

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 fish for the test material is 0.124 mg/L.

Executive summary:

The short-term toxicity to fish is calculated by ECOSAR v1.11. Lowest LC50 value for fish, 96 h, is 0.124 mg/L derived by calculation from ECOSAR class Amides. The calculated LC50 Neutral Organic Structure Analysis Relationship (baseline toxicity) for fish is 0.06 mg/L. The estimated water solubility of the test substance is 0.02814 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 4

Endpoint:

short-term toxicity to fish

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,C1.

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: Rainbow trout (Oncorhynchus mykiss)

Test type:

static

Hardness:

286 mg CaCO3/L

Duration:

24 h

Dose descriptor:

LC50

Remarks on result:

other: > limit of solubility

Duration:

48 h

Dose descriptor:

LC50

Remarks on result:

other: > limit of solubility

Duration:

72 h

Dose descriptor:

LC50

Remarks on result:

other: > limit of solubility

Duration:

96 h

Dose descriptor:

LC50

Remarks on result:

other: > limit of solubility

Duration:

96 h

Dose descriptor:

NOEC

Remarks on result:

other: limit of solubility

Description of key information

The experimental study on the short-term toxicity to Rainbow trout (Oncorhynchus mykiss) reports that the solubility is to low for measuring LC50 values (24h, 48h, 72h and 96h) as well as NOEC values (after 96 h).

In addition, the short-term toxicity to fish 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 4.1E-5 mg/L. Hence, this component provides the most conservative value to estimate toxicity of the substance. All calculated values are lower than the estimated solubilities of the substances.

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