Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1999

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

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. Triethanolamine experimental data is from a peer reviewed scientific journal.

Qualifier:

according to guideline

Guideline:

other: NSW Environment Protection Authority: ASTM Designation E1192 (1988)

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): Triethanolamine
-All test substances were stored in the dark at 22±2 °C

Analytical monitoring:

no

Vehicle:

no

Details on test solutions:

Stock solutions of each component, were made by dissolving the appropriate amount in 1 or 2 L of the water and then gently stirred for 12 h in the dark at 23 ±1°C using Teflon magnetic stirrers. Light was excluded during the stirring to minimize photodegradation of the chemicals. Stock solutions were diluted to the appropriate concentrations immediately prior to the commencement of a test.

Test organisms (species):

Ceriodaphnia dubia

Details on test organisms:

Common name: Ceriodaphnia cf. dubia (C. cf. dubia).
C. cf. dubia were cultured and tested at 23±1°C in dechlorinated Sydney mains water which was filtered
(1 μm), aged (1 month), and adjusted to 500 μS/cm with seawater. Cultures of C. cf. dubia were maintained in 2-L glass beakers and transferred to fresh water three times weekly. Food was provided after water renewal at a concentration of 25,000 cells/ml of each of the unicellular algae Pseudokirchneriellia subcapitata Printz and Ankistrodesmus sp. All neonates used in the toxicity tests were less than 24 h old. Animals were not fed during the tests.

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Test temperature:

23±1 °C

Nominal and measured concentrations:

Each bioassay consisted of 5 concentrations of component arranged in a geometric series, plus a control.

Details on test conditions:

The test vessels were 250-ml glass beakers which held 200 ml of the test solution or control solution (water). Each bioassay consisted of five concentrations of component arranged in a geometric series, plus a control. Five cladocera were randomly allocated to each test beaker and each treatment in a test was triplicated. Beakers were then randomly positioned in constant temperature cabinets and maintained at 23±1°C with a 16 : 8-h light to dark regime and light intensity below 1000 lx at the surface
of the solutions. Animals were not fed during the tests. The temperature, dissolved oxygen, pH, and conductivity of the test solutions were measured immediately prior to the addition of the cladocera and on completion of each bioassay. The tests were terminated after 48 h and the numbers of immobile cladocera counted. Immobilization was defined as the absence of visible movement by the cladocera within 15 s of gentle agitation of the test solution. Tests were considered invalid and the data not included in
the study if more than 10% of the control neonates were immobilized. Each component was tested in
a range-finder and definitive test over the period of the study. If the resulting EC50 values were markedly different, a second definitive test was conducted.

Reference substance (positive control):

no

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

ca. 608.88 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: 95% confidence interval 565.2 mg/l - 658.3 mg/l

Reported statistics and error estimates:

The 48-h EC50 (immobilisation) values and the corresponding 95 % confidence intervals were based on nominal concentrations and were determined by the trimmed Spearman-Kaerber method (Hamilton et al., 1977).

Validity criteria fulfilled:

yes

Conclusions:

The short term toxicity to the aquatic invertebrate, Ceriodaphnia cf. dubia was investigated in this scientific research paper. Under the conditions reported, the 48 hour EC50 value was 609.88 mg/L and the authors concluded that Triethanolamine was of low toxicity.

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, which is supported by its very high water solubility, it is considered appropriate to read across from Triethanolamine.

 

The acute toxicity to aquatic invertebrates of Triethanolamine was investigated by Warne & Schifko (1999) according to ASTM Designation E1192. Using the aquatic invertebrate test species, Ceriodaphnia dubia, in a static procedure an EC50 value of 609.88 mg/l after 48 hours of exposure was determined.

This study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimischet al.(1997) as study is well documented and meets generally accepted scientific principles.

                                                                                

It was concluded that under the conditions of this study Triethanolamine was of low aquatic toxicity and is considered as not acutely harmful to aquatic invertebrates.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

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 2,2',2''-nitrilotriethanol.The short term toxicity to aquatic invertebrates 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):

Daphnia magna

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

ca. 1 771.3 mg/L

Remarks on result:

other: ECOSAR v1.11 (EPI Suite version 4.11) Estimation

Conclusions:

The short term toxicity to aquatic invertebrates of 2,2',2''-nitrilotriethanol, CAS 102-71-6, was estimated using ECOSAR v1.11 (EPI Suite version 4.11). The predicted Daphnia 48 hour LC50 value 1771.3 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 short term toxicity to aquatic invertebrates 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 48 hour LC50 value for Daphnia was 1771.3 mg/L, meaning that based on this QSAR prediction, 2,2',2''-nitrilotriethanol (1:1) is not classified as acutely toxic to aquatic life.

 

The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

Reference 3

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

1989

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

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 Triethanolamine and Octanoic acid in the aquatic environment, it is considered appropriate to read across from Octanoic acid and Triethanolamine.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Gammarus (Hyale plumulosa) were studied under static marine water conditions for 48 hours.

GLP compliance:

not specified

Specific details on test material used for the study:

Test material (as cited in paper): Caprylic acid.
Purchased from Kao Co. (Japan)

Analytical monitoring:

yes

Vehicle:

yes

Details on test solutions:

Octanoic acid was dissolved in artifical sea water by adding 10 g/L and mixing in an Erlenmeyer flask for 24 h with a magnetic bar at room temperature (25 ± 2 °C). Mixture was left still for a few hours and the upper layer was removed with a capillary pipette. The lower layer was used for testing.

Test organisms (species):

other: Hyale plumulosa (Gammarus)

Details on test organisms:

Gammarus were collected at the Bay of Tokyo, Japan, and acclimatised for more than 2 weeks. Salinity of the rearing and testing water was 25%. Size of crustacea was approximately 5mm. They were fed with commercial fish food (Tetramin) until the test started.

Test type:

semi-static

Water media type:

saltwater

Limit test:

yes

Total exposure duration:

48 h

Hardness:

51 mg CaCO3/L

Test temperature:

25 ± 2°C

pH:

8.2

Dissolved oxygen:

Wen dissolved oxygen was < 60 % of air saturation, aeration was provided once for 5 min at 24 h intervals.

Salinity:

25%

Nominal and measured concentrations:

Gammarus were exposed to a geometric series of concentrations of the test chemical (max. 1000 mg/L), but when LC50 values of the test chemicals were close to or higher than the saturated concentrations, animals were exposed only to the saturated solutions and the half-dilution of the saturated solutions.

Details on test conditions:

Acute toxicity tests on fatty acids were conducted under semi-static (with water renewal at 24 hours) conditions for 48 hours, with 10 crustacea present per vessel. The gammarus were exposed to a geometric series of concentrations of test chemical, but when LC50 values of the test chemicals were close to or higher than the saturated concentrations; animals were exposed only to the saturated solutions and the half dilution of the saturated solutions. The testing concentrations were established by conducting range-finding tests prior to the definitive tests. During the acclimation and tests, following test conditions were maintained: temperature was 25±2 °C; photoperiod was 12 hour day/12 hour night; when dissolved oxygen became under 60% of saturation, aeration was performed once for 5 minutes at 24 hour intervals; hardness and pH of freshwater was 51 mg/l as CaCO3 and approximately 7.2 respectively; pH of the artificial sea water was approximately 8.2. LC50 values were determined by log/probit plots.

Reference substance (positive control):

no

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

ca. 128 mg/L

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

mortality

Conclusions:

The short term toxicity to the aquatic invertebrate, Hyale plumulosa (Gammarus) was investigated in this study conducted by Onitsuka, S. et al. Under the conditions reported, the 48 hour LC50 value of Octanoic acid was 128 mg/L.

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, which is supported by its very high water solubility, it is considered appropriate to read across from Octanoic Acid.

 

The acute toxicity to aquatic invertebrates of Octanoic acid was investigated in a study by Onitsuka, S.et al (1989) using the aquatic invertebrate test species, Hyale plumulosa (Gammarus). Under the conditions of this study, an LC50 value of 128 mg/l after 48 hours of exposure was determined, and it can be concluded that Octanoic acid is of acute low aquatic toxicity.

Reference 4

Endpoint:

short-term toxicity to aquatic invertebrates

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 short term toxicity to aquatic invertebrates 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)

GLP compliance:

no

Test organisms (species):

Daphnia magna

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

ca. 87.3 mg/L

Remarks on result:

other: ECOSAR v1.11 Estimation

Conclusions:

The short term toxicity to aquatic invertebrates of Octanoic Acid, CAS 124-07-2, was estimated using ECOSAR v1.11 (EPI Suite version 4.11). The predicted Daphnia 48 hour LC50 value 87.3 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 short term toxicity to aquatic invertebrates 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 48 hour LC50 value for Daphnia was 87.3 mg/L, meaning that based on this QSAR prediction, Octanoic acid is not classified as acutely toxic to aquatic life.

 

The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

Description of key information

No data concerning the short term toxicity of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) to aquatic invertebrates 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 components in 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 short term toxicity to aquatic invertebrate endpoint.

 

The short term toxicity to aquatic invertebrates 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, ECOSAR v1.11 (EPI Suite version 4.11) and available literature data.

 

The results of the ECOSAR analysis are as follows:

Octanoic Acid (CAS 124-07-2) predicted 48 hour LC50 value for Daphnia was 87.3 mg/L.

Triethanolamine (CAS 102-71-6) predicted 48 hour LC50 value for Daphnia was 1771.3 mg/L mg/L.

The short term toxicity to aquatic invertebrates of Octanoic Acid has been reported in literature. In an experimental study conducted by Onitsuka, S.et al (1989) using the aquatic invertebrate test species, Hyale plumulosa (Gammarus), toxicity was investigated under static marine water conditions for 48 hours. Under the conditions of this study, an LC50 value of 128 mg/l after 48 hours of exposure was determined for Octanoic Acid.

 

Experimental aquatic toxicity data is also available for Triethanolamine. In a study reported by Warne & Schifko (1999), according ASTM Designation E1192 and conducted on behalf of the Environmental protection authority of NSW, Australia, the aquatic invertebrate species Ceriodaphnia dubia was used to investigate toxicity of Triethanolamine in the aquatic environment. Under the conditions of this study, the 48 hour EC50 value 609.88 mg/L was determined and the authors concluded that Triethanolamine was of low toxicity.

 

As Octanoic acid exhibits greater toxicity towards aquatic invertebrates compared to TEA, and the predicted QSAR toxicity data is more conservative than the available experimental data, the invertebrate aquatic toxicity endpoint data requirement can be conservatively satisfied using the QSAR prediction data. Therefore the predicted 48 hour EC50 value for aquatic invertebrates exposed to the target substance (Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)) is expected to be 87.3 mg/L.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

87.3 mg/L

Additional information

Through the application of read-across, using a worst-case approach, the estimated Daphnia 48 hour LC50 value for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined as 87.3 mg/L, using ECOSAR v1.11 (EPI Suite version 4.11).