Disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinate

Endpoint summary

Description of key information

Short-term toxicity to fish:

The toxic effects of the test compound disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS no. 40754-59-4) were predicted using QSAR toolbox version 3.3. The prediction was based on the effects of the test compound on Danio rerio (previous name: Brachydanio rerio) in a static fresh water system during a 96 hour exposure. The lethal concentration (LC50) for the test compound disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS no. 40754-59-4) was estimated to be 120.26 mg/l on the basis of mortality effect. Thus, based on this value, test chemical disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered as non-toxic to fish and thus can be considered to be not classified as per the CLP classification criteria.

Short term toxicity to aquatic invertebrates

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS: 40754-59-4). EC50 value was estimated to be 1330 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.

Based on this value it can be concluded that the substance disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (CAS no. 40754 -59 -4) (2017). EC50 value was estimated to be 294 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Additional information

Short-term toxicity to fish:

Four studies from prediction and experimental study using authorative database (J-check; 2017) for short term fish toxicity endpoint of target chemical disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) with relevant read across which is structurally similar to the target chemical are summarized as follows:

 

In first study the short-term toxicity of the disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) to Danio rerio (previous name: Brachydanio rerio) was predicted using QSAR toolbox version. 3.3 (2017), based on the effects observed in a static freshwater system during 96 hr exposure. The lethal concentration (LC50) for the test compound disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) was estimated to be 120.26 mg/L. Thus, based on this value, test chemical disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered as non-toxic to fish and thus can be considered to be not classified as per the CLP classification criteria.

Another prediction report from EPI Suite ECOSAR version 1.10 predicted model for target indicate the 96 hours LC50 was estimated to be 71.551 mg/l on Fish for substance disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate (CAS no.40754-59-4) on the basis of mortality effects using neutral organics class for prediction. Thus, based on this value, it can be concluded that the test chemical disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered as toxic to fish. Since the test chemical is readily biodegradable in nature, disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.

Above aquatic classification for target chemical is supported by experimental study of read across chemical sodium octadec-9-enoate i.e Sodium oleate (Cas no. 143-19-1) in which the study was performed according to OECD Guideline 203 (Fish, Acute Toxicity Test). The study was based on the effects of the test compound sodium octadec-9-enoate (Sodium oleate) on fish in fresh water system. Based on effect on mortality of the test organism fish, the 96 hr LC50 value was determined to be >100 mg/l. Thus, based on the LC50 value, it can be concluded that the substance sodium octadec-9-enoate (Sodium oleate) can be considered as non toxic to fish and thus it can be considered to be not classified for aquatic classification as per CLP regulation.

For another read across sodium stearate (Cas no.822-16-2) the study was performed according to OECD Guideline 203 (Fish, Acute Toxicity Test). The study was based on the effects of the test compound sodium stearate on fish in fresh water system. Based on effect on mortality of the test organism fish, the 96 hr LC50 value was determined to be >100 mg/l. Thus, based on the LC50 value, it can be concluded that the substance sodium stearate can be considered as non toxic to fish and thus it can be considered to be not classified for aquatic classification as per CLP regulation.

All available median lethal concentration (LC50) values for fish toxicity in acute exposure is in the range of 71.551 -120.26 mg/l, but since the target substance is readily biodegradable, it can be considered that 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) is likely to be non-toxic to fish at environmentally relevant concentrations and thus can be considered to be not classified for aquatic environment as per the CLP classification criteria.

Short term toxicity to aquatic invertebrates

Short term toxicity to aquatic invertebrates was reviewed for disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS: 40754-59-4) and two 50-60 % structurally similar read across substances. The results are summarised as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS: 40754-59-4). EC50 value was estimated to be 1330 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.

Another prediction was predicted using EPI suite, ECOSAR version 1.1, 2017, based on the effects observed in 48 hr exposure. The lethal concentration (LC50) for the disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate (40754-59-4) was estimated to be 8.761 mg/l. Based on the result, the chemical was considered to be toxic to aquatic invertebrates but as it was readily biodegradable, hence it can be considered to be not classified as per CLP regulation.

Study was performed for read across substance sodium stearate (822-16-2) from J-check, 2010 on daphnia magna for 48 hrs according to OECD guideline 202. After the experiment, the EC 50 value for short term toxicity to aquatic invertebrates was determined to be 19 mg/l. Based on the result, the chemical was considered to be toxic to aquatic invertebrates but as it was readily biodegradable, hence it can be considered to be not classified as per CLP regulation.

In addition to above result, for the study on another read across sodium dodecane-1-sulfonate (2386-53-0) as reported in Ecotox database (2016), 5 Daphnia were used for a static test carried out for 24 hrs. After the 24 hrs, the EC 50 value for sodium dodecane-1-sulfonate (2386-53-0) for daphnia magna was determined to be 220 mg/l on the basis of intoxication.

Thus, based on the predicted results and study from read across, it can be considered that disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS: 40754-59-4) was likely to be non-toxic to aquatic invertebrates at environmentally relevant concentrations and can be considered to be not classified as per the criteria of CLP regulation.

Toxicity to aquatic algae and cyanobacteria

2 predicted data for the target chemical 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS no.40754-59-4) which is supported further by total 3 weight of evidence studies (from secondary source and authoritative database) for its closest read across substance with logKow as the primary descriptor were reviewed for the toxicity to aquatic algae and cyanobacteria end point which are summarized as below:

 

Short term toxicity on aquatic algae and cyanobacteria of target chemical4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate(CAS no.40754-59-4), is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017). EC50 value was estimated to be 294 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

 

In another prediction done using the EPI Suite ECOSAR version 1.10 (2017), short term toxicity on green algae was predicted for test substance4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate(CAS no.40754-59-4). EC50 value was estimated to be 12.298 mg/l on green algae for substance disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS no. 4075 -59 -4) with growth inhibition effects. Thus, based on this value, it can be concluded that the test chemical disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered as toxic to aquatic organisms. Since the test chemical is readily biodegradable in nature, chemical disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.

 

In a supporting weight of evidence study for read across chemical sodium stearate (CAS no. 822 -16 -2) from authoritative database (J-CHECK, 2016), short term toxicity to green algae study was carried out for 72 hrs. The study was performed according to OECD Guideline 201 (Alga, Growth Inhibition Test). The study was based on the effects of the read across compound sodium stearate on green algae in a static fresh water system. Based on effect on growth rate of the test organism green algae, the 72 hr EC50 and NOEC value was determined to be 150 and 31 mg/l, and on the basis of AUG, the 72 hr EC50 and NOEC value was determined to be 110 and 56 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance sodium stearate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP classification criteria.

 

Another short term toxicity study to Selenastrum capricornutum (algae) of read across sodium 2-(dodecyloxy)-2 -oxoethanesulfonate (CAS no. 1847 -58 -1) was carried out for 72 hrs (High Production Volume (HPV) Challenge Program, 2016). The study was performed according to OECD Guideline 201 (Alga, Growth Inhibition Test). The study was based on the effects of the test compound sodium 2 -(dodecyloxy)-2 -oxoethanesulfonate on Selenastrum capricornutum (green algae) in a static fresh water system at a temperature of 23 – 24.1°C, pH range of 7.8 – 9.0 and light intensity of 4900 – 6400 lux, respectively. Selenastrum capricornutum strain NIVA CHL 1 was used as a test organism. Initial cell density of the test organism was 1 × 104cells/ml. Cell density at 0, 24, 48 and 72 h was measured by spectrophotometry or microscope using a counting chamber. Statistical method used in the study were ANOVA, Bonferroni t-test, Tukey test and Williams' test, respectively. In the blank control an increase of 1.5 was observed which correlated with a high rate of algal growth (7.9 -9.4). Initial test solutions were all clear and colourless. Concentrations were not stable, especially over the last 48 hours. The concentrations in the vessels without algae decreased to the same extent. This is explained by possible biodegradation, since the test solutions became turbid during exposure, which may indicate bacterial growth. Based on effect on growth rate of the test organism Selenastrum capricornutum (green algae), the 72 hr EC50 value was determined to be 6.8 mg/l and on the basis of biomass, the 72 hrs EC50 value was determined to be 1.9 mg/l and the NOEC value was determined to be 0.86 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance 2 -(dodecyloxy)-2 -oxoethanesulfonate can be considered as toxic to aquatic organisms. Since the test chemical 2 -(dodecyloxy)-2 -oxoethanesulfonate is readily biodegradable in nature, it can be concluded that the substance 2 -(dodecyloxy)-2-oxoethanesulfonate can be considered as non-toxic to aquatic organism and thus cannot be classified as hazardous as per the CLP classification criteria.

For read across chemical bis(2 -(2 -butoxyethoxy)ethyl) adipate (CAS no. 141 -17 -3), short term toxicity toDesmodesmus subspicatus(green algae) study was carried out for 72 hrs ( American Chemical Council,U.S. Environmental Protection Agency, Document no.8EHQ-1110-18185A, Nov. 23, 2010). The study was based on the effects of the read across compound bis(2 -(2 -butoxyethoxy)ethyl) adipate onDesmodesmus subspicatus(green algae) in a static fresh water system at a temperature of 24 ± 1°C under continuous illumination of light and shaking for 72 hrs and the test organism was exposed in triplicates with the test chemical. Desmodesmus subspicatuswas used as a test organism.Test chemical conc. used for the study were1.0, 3.2, 10, 32 and 100 mg/L, respectively (nominal concentrations). Analysis of the test preparations at 0 hours showed measured test concentrations to range from 87% to 100% of nominal. Analysis of the test preparations at 72 hours showed a decline in measured test concentrations in the range of less than the limit of quantitation (LOQ) of the analytical method employed (which was determined to be 0.022 mg/l) to 50% of nominal. These indicate that the decline observed was due to instability rather than adsorption.Growth rate and growth yield was measured during a period of 72 hrs.Based on effect on growth rate of the test organismDesmodesmus subspicatus(green algae), the 72 hr EC50 value was determined to be 23 mg/l (nominal conc.) and 0.48 mg/l (measured conc.), NOEC value was determined to be 10 mg/l (nominal conc.) and 0.33mg/l (measured conc.) and LOEC value was determined to be 32 mg/l (nominal conc.) and 0.55 mg/l (measured conc.), respectively whereas on the basis of growth yield, the 72 hr EC50 value was determined to be 11 mg/l (nominal conc.) and 0.35 mg/l (measured conc.), NOEC value was determined to be 3.2 mg/l (nominal conc.) and 0.18 mg/l (measured conc.) and LOEC value was determined to be 10 mg/l (nominal conc.) and 0.33 mg/l (measured conc.), respectively.Thus, based on the EC50 value, it can be concluded that the substance bis(2 -(2 -butoxyethoxy)ethyl) adipate can be considered as toxic to aquatic organisms. Since the test chemical bis(2 -(2 -butoxyethoxy)ethyl) adipate is readily biodegradable in nature, it can be concluded that the bis(2 -(2 -butoxyethoxy)ethyl) adipate can be considered as non-toxic to aquatic organism and thus cannot be classified as hazardous as per the CLP classification criteria.

 

Thus, based on the overall reported results for target chemical 4-oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (from OECD QSAR toolbox 3.3 and EPI suite, 2017) and for its read across substance (from secondary source High Production Volume (HPV) Challenge Program and J-CHECK authoritative database), it can be concluded that the test substance 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is likely to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.