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EC number: 245-327-1 | CAS number: 22919-56-8
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- As octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) is expected to readily dissociate into Triethanolamine and Octanoic acid in the aquatic environment, it is considered appropriate to read across from Octanoic Acid and Triethanolamine. The toxicity to algae of Octanoic Acid was estimated using ECOSAR v1.11 (EPI Suite version 4.11).
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- ECOSAR v1.11 (EPI Suite version 4.11).
Values used to Generate ECOSAR Profile:
Log Kow: 3.033 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 789 (mg/L, PhysProp DB exp value) - Test organisms (species):
- other: Green Algae
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- ca. 96.5
- Remarks on result:
- other: ECOSAR v1.11 (EPI Suite version 4.11) Estimation
- Conclusions:
- The toxicity to algae of Octanoic Acid, CAS 124-07-2, was estimated using ECOSAR v1.11 (EPI Suite version 4.11). The predicted Green algae 96 hour EC50 value 96.5 mg/L was determined.
- Executive summary:
As octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) is expected to readily dissociate into Triethanolamine and Octanoic acid in the aquatic environment, as shown by its high water solubility, it is considered appropriate to read across from Octanoic Acid and Triethanolamine.
The toxicity to algae of Octanoic Acid, CAS 124-07-2, has been investigated using the QSAR model, ECOSAR v1.11 (EPI Suite version 4.11). Where the values used to generate the ECOSAR profile are Log Kow: 3.033 (EPISuite Kowwin v1.68 Estimate) and water Solubility: 789 (mg/L, PhysProp DB exp value).
The predicted 96 hour EC50 value for Green Algae was 96.5 mg/L, this study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- As Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) is highly soluble in water, and is expected to readily dissociate into 2,2',2''-nitrilotriethanol and Octanoic acid in the aquatic environment, it is considered appropriate to read across from Octanoic acid and 2,2',2''-nitrilotriethanol. The toxicity to aquatic algae of 2,2',2''-nitrilotriethanol was estimated using ECOSAR v1.11 (EPI Suite version 4.11).
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- ECOSAR v1.11 (EPI Suite version 4.11).
Values used to Generate ECOSAR Profile:
Log Kow: -2.476 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 1E+006 (mg/L, PhysProp DB exp value) - GLP compliance:
- no
- Test organisms (species):
- other: Green Algae
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- ca. 4 092.2 mg/L
- Remarks on result:
- other: ECOSAR v1.11 (EPI Suite version 4.11) Estimation
- Conclusions:
- The toxicity to algae of 2,2',2''-nitrilotriethanol, CAS 102-71-6, was estimated using ECOSAR v1.11 (EPI Suite version 4.11). The predicted algae 96 hour EC50 value 4092.2 mg/L was determined.
- Executive summary:
As octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) is expected to readily dissociate into 2,2',2''-nitrilotriethanol and Octanoic acid in the aquatic environment, as shown by its high water solubility, it is considered appropriate to read across from Octanoic Acid and 2,2',2''-nitrilotriethanol.
The toxicity to algae of 2,2',2''-nitrilotriethanol, CAS 102-71-6, has been investigated using the QSAR model, ECOSAR v1.11 (EPI Suite version 4.11). Where the values used to generate the ECOSAR profile are Log Kow: -2.476 (EPISuite Kowwin v1.68 Estimate) and water Solubility: 1E+006 (mg/L, PhysProp DB exp value).
The predicted 96 hour EC50 value for Green Algae was 4092.2 mg/L, this study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
Referenceopen allclose all
Description of key information
No data concerning the toxicity of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) to aquatic algae and cyanobacteria is available.However, as Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) is extremely soluble in water (>1000 g/L) indicating it readily dissociates into its respective anion and cation componentsin aquatic systems, it was deemed scientifically appropriate and justified to use data for the constituents, Octanoic acid (CAS 124-07-2) and Triethanolamine (CAS 102-71-6) in order to assess the toxicity to aquatic algae and cyanobacteria endpoint.
The toxicity to algae of Octanoic Acid (CAS 124-07-2) and Triethanolamine (CAS 102-71-6) has been evaluated using results derived from the reliable (Q)SAR model, falling into its applicability domain, ECOSAR v1.11 (EPI Suite version 4.11).
The results of the ECOSAR analysis are as follows:
Octanoic Acid (CAS 124-07-2) predicted 96 hour EC50 value for Green Algae was 96.5 mg/L.
Triethanolamine (CAS 102-71-6) predicted 96 hour EC50 value for Green Algae was 4092.2 mg/L.
Through the application of read-across, using a worst-case approach, the estimated algae 96 hour EC50 value for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined as 96.5 mg/L.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 96.5 mg/L
Additional information
Through the application of read-across, using a worst-case approach, the estimated algae 96 hour EC50 value for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined as 96.5 mg/L, using ECOSAR v1.11 (EPI Suite version 4.11).
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