Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 245-327-1 | CAS number: 22919-56-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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).
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.