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EC number: 950-156-7 | CAS number: -
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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 aquatic invertebrates 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 aquatic invertebrates 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):
- other aquatic crustacea: Daphnid, not specified
- Test type:
- other: estimation by calculation
- Water media type:
- not specified
- Total exposure duration:
- 48 h
- Duration:
- 48 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:
- 48 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.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The calculated EC50 (48 h) for daphnids of 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide is 6.19E-7 mg/L based on ECOSAR class Amides. The predicted EC50 (48 h) for the baseline toxicity (Neutral Organic SAR) is 2.99E-6 mg/L. The chemical may not be soluble enough to measure this predicted effect.
- Executive summary:
The short-term toxicity to daphnids of 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide is calculated by ECOSAR (v1.11), using EPI Suite. The calculated EC50 (48 h) is 6.19E-7 mg/L based on ECOSAR class Amides. The predicted EC50 (48 h) for the baseline toxicity (Neutral Organic SAR) is 2.99E-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 aquatic invertebrates
- 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 aquatic invertebrates 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 aquatic invertebrates 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):
- other aquatic crustacea: Daphnid, not specified
- Test type:
- other: estimation by calculation
- Water media type:
- not specified
- Total exposure duration:
- 48 h
- Duration:
- 48 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:
- 48 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.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The calculated EC50 (48 h) for daphnids of N,N'-[1,3-Phenylenebis(methylene)bis[12-hydroxyoctadecanamide] is 1.69E-8 mg/L based on ECOSAR class Amides. The predicted EC50 (48 h) for the baseline toxicity (Neutral Organic SAR) is 1.03E-7 mg/L. The chemical may not be soluble enough to measure this predicted effect.
- Executive summary:
The short-term toxicity to daphnids of N,N'-[1,3-Phenylenebis(methylene)bis[12-hydroxyoctadecanamide] is calculated by ECOSAR (v1.11), using EPI Suite. The calculated EC50 (48 h) is 1.69E-8 mg/L based on ECOSAR class Amides. The predicted EC50 (48 h) for the baseline toxicity (Neutral Organic SAR) is 1.03E-7 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 aquatic invertebrates
- 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 aquatic invertebrates 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 aquatic invertebrates 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):
- other aquatic crustacea: Daphnid, not specified
- Test type:
- other: estimation by calculation
- Water media type:
- not specified
- Total exposure duration:
- 48 h
- Duration:
- 48 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:
- 48 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.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The calculated EC50 (48 h) for daphnids of Octadecanamide, N,N'-1,6-hexanediylbis 12-hydroxy- is 1.07E-8 mg/L based on ECOSAR class Amides. The predicted EC50 (48 h) for the baseline toxicity (Neutral Organic SAR) is 6.72E-8 mg/L. The chemical may not be soluble enough to measure this predicted effect.
- Executive summary:
The short-term toxicity to daphnids of Octadecanamide, N,N'-1,6-hexanediylbis 12-hydroxy- is calculated by ECOSAR (v1.11), using EPI Suite. The calculated EC50 (48 h) is 1.07E-8 mg/L based on ECOSAR class Amides. The predicted EC50 (48 h) for the baseline toxicity (Neutral Organic SAR) is 6.72E-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 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:
- EU Method C.2 (Acute Toxicity for Daphnia)
- Version / remarks:
- EEC Directive 92/69, C.2
- GLP compliance:
- yes
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Amide #71
- Details on test solutions:
- Identity and concentration of auxiliary solvent for dispersal: Tween 80
- Test organisms (species):
- Daphnia magna
- Hardness:
- 250 mg CaCO3/L
- Duration:
- 24 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 0.64 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 0.64 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 (48 h) of 1,3-bis[12-hydroxy-octadecamide-N-methylene]-benzene for Daphnia magna is greater than the limit of solubility (> 0.64 mg/L).
- Executive summary:
The short-term toxicity for aquatic invertebrates of 1,3-bis[12-hydroxy-octadecamide-N-methylene]-benzene is assessed in a guideline study according to EU Method C.2 using Daphnia magna. The EC50 (48 h) is greater than the limit of solubility (> 0.64 mg/L).
- 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:
- EU Method C.2 (Acute Toxicity for Daphnia)
- Version / remarks:
- 92/69/EEC, C2 (OECD Guideline No 202)
- GLP compliance:
- yes
- Details on test solutions:
- Identity and concentration of auxiliary solvent for dispersal: Elendt M4 medium
A saturated solution was prepared by stirring test medium containing 100 mg/L (nominal) for 24 hours. The solution was then filtered through filter paper to remove particulate matter.
The test substance concentration could not be analysed since the analytical limit of detection (5 µg/L) exceeded the test substance solubility limit in the test medium. - Test organisms (species):
- Daphnia magna
- Water media type:
- freshwater
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- The 48 h EC50 is greater than the limit of solubility.
- Duration:
- 48 h
- Dose descriptor:
- NOEC
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- The 48 h NOEC is equal to or greater than the limit of solubility.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 (48 h) of 12-hydroxyoctadecanoic acid, reaction products with 1,3-benzenedimethanamine and hexamethylenediamine for Daphnia magna 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 aquatic invertebrates of 12-hydroxyoctadecanoic acid, reaction products with 1,3-benzenedimethanamine and hexamethylenediamine is assessed in a guideline study according to EU Method C.2 using Daphnia magna. The EC50 (48 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 aquatic invertebrates
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance is highly insoluble in water, hence indicating that aquatic toxicity is unlikely to occur
- the study does not need to be conducted because the substance is unlikely to cross biological membranes, hence indicating that aquatic toxicity is unlikely to occur
Referenceopen allclose all
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.
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.
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.
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 guideline studies on two read-across substances, 12-hydroxyoctadecanoic acid, reaction products with 1,3-benzenedimethanamine and hexamethylenediamine and 1,3-bis[12-hydroxy-octadecamide-N-methylene]-benzene, no EC50 or NOEC values could be determined because the water solubility of the test material was too low. Calculations on three constituents of the substance by the QSAR software tool EPI Suite v4.1.1 predicted that no effects at saturation on invertebrates are expected due to the low water solubility of the bisamides. Based on the experimental results on the read-across substances and the toxicity predictions for individual constituents by EPI Suite, the properties of the multi-constituent substance are expected to be comparable. 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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
