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Short-term toxicity to fish

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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:
EU Method C.1 (Acute Toxicity for Fish)
Version / remarks:
EEC Directive 92/69, C1
GLP compliance:
yes
Details on test solutions:
Identity and concentration of auxiliary solvent for dispersal: Tween 80
Test organisms (species):
other: Carp
Test type:
semi-static
Limit test:
yes
Hardness:
250 mg CaCO3/L
Duration:
24 h
Dose descriptor:
LC50
Effect conc.:
> 55 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
> 55 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality
Duration:
72 h
Dose descriptor:
LC50
Effect conc.:
> 55 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
> 55 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality
Validity criteria fulfilled:
not specified
Conclusions:
The LC50 (96 h) of 1,3-bis[12-hydroxy-octadecamide-N-methylene]-benzene for carp is > 55 mg/L.
Executive summary:

The short-term toxicity for fish of 1,3-bis[12-hydroxy-octadecamide-N-methylene]-benzene is assessed in a guideline study according to EU Method C.1 using carp. The LC50 (96 h) is > 55 mg/L, which is beyond water solubility of the substance (< 0.64 mg/L).

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:
EU Method C.1 (Acute Toxicity for Fish)
Version / remarks:
92/69/EEC, C1 (OECD Guideline No 203)
GLP compliance:
yes
Details on test solutions:
Identity and concentration of auxiliary solvent for dispersal: Diluent water

A solution of nominal concentration 100 mg/L was stirred for 24 hours and then filtered through filter paper to remove particulate matter. The resulting solution was used as the exposure solution. No analysis of the test solution could be conducted since the analytical limit of detection (5 µg/L) was greater than the test substance solubility limit.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Hardness:
139-159 mg CaCO3/L
Duration:
96 h
Dose descriptor:
LC50
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
not determinable because of methodological limitations
Remarks:
The 96 h LC50 is greater than the limit of solubility.
Duration:
96 h
Dose descriptor:
NOEC
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
not determinable because of methodological limitations
Remarks:
The 96 h NOEC is equal to or greater than the limit of solubility.
Validity criteria fulfilled:
not specified
Conclusions:
The LC50 (96 h) of 12-hydroxyoctadecanoic acid, reaction products with 1,3-benzenedimethanamine and hexamethylenediamine for Oncorhynchus mykiss is greater than the limit of solubility. The respective NOEC is greater than or equal to the limit of solubility.
Executive summary:

The short-term toxicity for fish of 12-hydroxyoctadecanoic acid, reaction products with 1,3-benzenedimethanamine and hexamethylenediamine is assessed in a guideline study according to EU Method C.1 using Oncorhynchus mykiss. The LC50 (96 h) is greater than the limit of solubility. The respective NOEC is greater than or equal to the limit of solubility.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The short-term toxicity to fish is estimated based on EPI Suite, ECOSAR v1.11. Two models are available, the estimation from the class (Amides) and the Baseline Toxicity (neutral organic structure activity relationship).
Principles of method if other than guideline:
The short-term toxicity to fish is estimated based on EPI Suite, ECOSAR v1.11. Two models are available, the estimation from the class (Amides) and the Baseline Toxicity (neutral organic structure activity relationship).
GLP compliance:
no
Specific details on test material used for the study:
Calculation is based on the structure of the test material.
- Name of test material (as cited in study report): Octadecanamide, N,N -1,2-ethanediylbis[12-hydroxy-
Analytical monitoring:
not required
Vehicle:
not specified
Test organisms (species):
not specified
Test type:
other: estimation by calculation
Water media type:
not specified
Total exposure duration:
96 h
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Class: Amides)
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Neutral Organic SAR)
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Class: Amides; (SW))
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.

ECOSAR Program (v1.11) Results:

===============================

ECOSAR Version 1.11 Results Page

 

SMILES : O=C(NCCNC(=O)CCCCCCCCCCC(O)CCCCCC)CCCCCCCCCCC(O)CCCCCC

CHEM  : Octadecanamide, N,N -1,2-ethanediylbis[12-hydroxy-

CAS Num:

ChemID1:

MOL FOR: C38 H76 N2 O4

MOL WT : 625.04

Log Kow: 11.311    (EPISuite Kowwin v1.68 Estimate)

Log Kow:           (User Entered)

Log Kow:           (PhysProp DB exp value - for comparison only)

Melt Pt:           (User Entered for Wat Sol estimate)

Melt Pt:           (deg C, PhysProp DB exp value for Wat Sol estimate)

Wat Sol: 2.409E-008 (mg/L, EPISuite WSKowwin v1.43 Estimate)

Wat Sol:           (User Entered)

Wat Sol:           (PhysProp DB exp value)

 

 

--------------------------------------

Values used to Generate ECOSAR Profile

--------------------------------------

Log Kow: 11.311    (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 2.409E-008 (mg/L, EPISuite WSKowwin v1.43 Estimate)

------------------------------

Class Specific LogKow Cut-Offs

------------------------------

If the log Kow of the chemical is greater than the endpoint specific cut-offs

presented below, then no effects at saturation are expected for those endpoints.

 

Amides :

-------

Maximum LogKow: >8.5 (LC50)

Maximum LogKow: >8.0 (EC50,ChV)

 

Baseline Toxicity SAR Limitations:

---------------------------------

Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Note: 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 calculated LC50 (96 h) for fish of 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide is 4.1E-5 mg/L based on ECOSAR class Amides. The predicted LC50 (96 h) for the baseline toxicity (Neutral Organic SAR) is 2.23E-6 mg/L. The chemical may not be soluble enough to measure this predicted effect.
Executive summary:

The short-term toxicity to fish of 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide is calculated by ECOSAR (v1.11), using EPI Suite. The calculated LC50 (96 h) is 4.1E-5 mg/L based on ECOSAR class Amides. The predicted LC50 (96 h) for the baseline toxicity (Neutral Organic SAR) is 2.23E-6 mg/L. These values reflect high toxicity. However, the chemical may not be soluble enough to measure this predicted effect. Nevertheless, the estimation by calculation only provides an approximation and cannot replace empirical studies. The EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The short-term toxicity to fish is estimated based on EPI Suite, ECOSAR v1.11. Two models are available, the estimation from the class (Amides) and the Baseline Toxicity (neutral organic structure activity relationship).
Principles of method if other than guideline:
The short-term toxicity to fish is estimated based on EPI Suite, ECOSAR v1.11. Two models are available, the estimation from the class (Amides) and the Baseline Toxicity (neutral organic structure activity relationship).
GLP compliance:
no
Specific details on test material used for the study:
Calculation is based on the structure of the test material.
- Name of test material (as cited in study report): N,N'-(Benzene-1,3-diyldimethanediyl)bis(12-hydroxyoctadecanamide)
Analytical monitoring:
not required
Vehicle:
not specified
Test organisms (species):
not specified
Test type:
other: estimation by calculation
Water media type:
not specified
Total exposure duration:
96 h
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Class: Amides)
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Neutral Organic SAR)
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Class: Amides; (SW))
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.

ECOSAR Program (v1.11) Results:

===============================

ECOSAR Version 1.11 Results Page

 

SMILES : CCCCCCC(CCCCCCCCCCC(=O)NCc1cc(ccc1)CNC(=O)CCCCCCCCCCC(CCCCCC)O)O

CHEM  : N,N'-(Benzene-1,3-diyldimethanediyl)bis(12-hydroxyoctadecanamide)

CAS Num:

ChemID1:

MOL FOR: C44 H80 N2 O4

MOL WT : 701.14

Log Kow: 13.075    (EPISuite Kowwin v1.68 Estimate)

Log Kow:           (User Entered)

Log Kow:           (PhysProp DB exp value - for comparison only)

Melt Pt:           (User Entered for Wat Sol estimate)

Melt Pt:           (deg C, PhysProp DB exp value for Wat Sol estimate)

Wat Sol: 2.351E-010 (mg/L, EPISuite WSKowwin v1.43 Estimate)

Wat Sol:           (User Entered)

Wat Sol:           (PhysProp DB exp value)

 

 

--------------------------------------

Values used to Generate ECOSAR Profile

--------------------------------------

Log Kow: 13.075    (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 2.351E-010 (mg/L, EPISuite WSKowwin v1.43 Estimate)

 

------------------------------

Class Specific LogKow Cut-Offs

------------------------------

If the log Kow of the chemical is greater than the endpoint specific cut-offs

presented below, then no effects at saturation are expected for those endpoints.

 

Amides :

-------

Maximum LogKow: >8.5 (LC50)

Maximum LogKow: >8.0 (EC50,ChV)

 

Baseline Toxicity SAR Limitations:

---------------------------------

Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Note: 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 calculated LC50 (96 h) for fish of N,N'-[1,3-Phenylenebis(methylene)bis[12-hydroxyoctadecanamide] is 2.52E-6 mg/L based on ECOSAR class Amides. The predicted LC50 (96 h) for the baseline toxicity (Neutral Organic SAR) is 6.51E-8 mg/L. The chemical may not be soluble enough to measure this predicted effect.
Executive summary:

The short-term toxicity to fish of N,N'-[1,3-Phenylenebis(methylene)bis[12-hydroxyoctadecanamide] is calculated by ECOSAR (v1.11), using EPI Suite. The calculated LC50 (96 h) is 2.52E-6 mg/L based on ECOSAR class Amides. The predicted LC50 (96 h) for the baseline toxicity (Neutral Organic SAR) is 6.51E-8 mg/L. These values reflect high toxicity. However, the chemical may not be soluble enough to measure this predicted effect. Nevertheless, the estimation by calculation only provides an approximation and cannot replace empirical studies. The EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The short-term toxicity to fish is estimated based on EPI Suite, ECOSAR v1.11. Two models are available, the estimation from the class (Amides) and the Baseline Toxicity (neutral organic structure activity relationship).
Principles of method if other than guideline:
The short-term toxicity to fish is estimated based on EPI Suite, ECOSAR v1.11. Two models are available, the estimation from the class (Amides) and the Baseline Toxicity (neutral organic structure activity relationship).
GLP compliance:
no
Specific details on test material used for the study:
Calculation is based on the structure of the test material.
- Name of test material (as cited in study report): Octadecanamide, N,N'-1,6-hexanediylbis 12-hydroxy-
Analytical monitoring:
not required
Vehicle:
not specified
Test organisms (species):
not specified
Test type:
other: estimation by calculation
Water media type:
not specified
Total exposure duration:
96 h
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Class: Amides)
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Neutral Organic SAR)
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.
Duration:
96 h
Dose descriptor:
LC50
Remarks:
(Class: Amides; (SW))
Effect conc.:
0 mg/L
Nominal / measured:
not specified
Conc. based on:
not specified
Basis for effect:
other: estimation by calculation
Remarks on result:
other: Note: Chemical may not be soluble enough to measure this predicted effect.

ECOSAR Program (v1.11) Results:

===============================

ECOSAR Version 1.11 Results Page

 

SMILES : O=C(NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC)CCCCCCCCCCC(O)CCCCCC

CHEM  : Octadecanamide, N,N'-1,6-hexanediylbis 12-hydroxy-

CAS Num:

ChemID1:

MOL FOR: C42 H84 N2 O4

MOL WT : 681.15

Log Kow: 13.276    (EPISuite Kowwin v1.68 Estimate)

Log Kow:           (User Entered)

Log Kow:           (PhysProp DB exp value - for comparison only)

Melt Pt:           (User Entered for Wat Sol estimate)

Melt Pt:           (deg C, PhysProp DB exp value for Wat Sol estimate)

Wat Sol: 2.153E-010 (mg/L, EPISuite WSKowwin v1.43 Estimate)

Wat Sol:           (User Entered)

Wat Sol:           (PhysProp DB exp value)

 

 

--------------------------------------

Values used to Generate ECOSAR Profile

--------------------------------------

Log Kow: 13.276    (EPISuite Kowwin v1.68 Estimate)

Wat Sol: 2.153E-010 (mg/L, EPISuite WSKowwin v1.43 Estimate)

 

------------------------------

Class Specific LogKow Cut-Offs

------------------------------

If the log Kow of the chemical is greater than the endpoint specific cut-offs

presented below, then no effects at saturation are expected for those endpoints.

 

Amides :

-------

Maximum LogKow: >8.5 (LC50)

Maximum LogKow: >8.0 (EC50,ChV)

 

Baseline Toxicity SAR Limitations:

---------------------------------

Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Note: 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 calculated LC50 (96 h) for fish of Octadecanamide, N,N'-1,6-hexanediylbis 12-hydroxy- is 1.76E-6 mg/L based on ECOSAR class Amides. The predicted LC50 (96 h) for the baseline toxicity (Neutral Organic SAR) is 4.18E-8 mg/L. The chemical may not be soluble enough to measure this predicted effect.
Executive summary:

The short-term toxicity to fish of Octadecanamide, N,N'-1,6-hexanediylbis 12-hydroxy- is calculated by ECOSAR (v1.11), using EPI Suite. The calculated LC50 (96 h) is 1.76E-6 mg/L based on ECOSAR class Amides. The predicted LC50 (96 h) for the baseline toxicity (Neutral Organic SAR) is 4.18E-8 mg/L. These values reflect high toxicity. However, the chemical may not be soluble enough to measure this predicted effect. Nevertheless, the estimation by calculation only provides an approximation and cannot replace empirical studies. The EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.

Description of key information

The substance consists of three structurally similar bisamides: N,N'-ethane-1,2-diylbis(12-hydroxyoctadecanamide), N,N'-hexane-1,6-diylbis(12-hydroxyoctadecanamide) and N,N'-[1,3-phenylenebis(methylene)]bis(12-hydroxyoctadecanamide). Experimental data on this substance are not available. The individual constituents and mixtures of them and similar amides are considered suitable read-across substances. In a guideline study on 12-hydroxyoctadecanoic acid, reaction products with 1,3-benzenedimethanamine and hexamethylenediamine no adverse effects on rainbow trout were observed due to the low water solubility of the test material.

Calculations of LC50 (96h, fish) for three individual constituents of the substance by the QSAR software tool EPI Suite v4.1.1 (used models: ECOSAR class Amides and Neutral Organic Structure Activity Relationship) result in values higher than the water solubility in all cases. Therefore, no effects at saturation are expected.

Based on the experimental result on the read-across substance and the toxicity predictions for individual constituents by EPI Suite, the LC50 for fish of the multi-constituent substance is expected to be higher than the water solubility. Therefore, no effects would be observed on test organisms exposed to saturated solutions.

Experiments on the aquatic toxicity are considered technically not feasible due to the low water solubility and no study was conducted. The CLP criteria are not met and the substance does not need to be classified.

Key value for chemical safety assessment

Additional information

The LC50 values for individual constituents calculated by ChemProp are disregarded for assessment, because the constituents were out of the applicability domains of the used models.