Pentene, 2,4,4-trimethyl-, sulfurized

Endpoint summary

Description of key information

Short-term toxicity to fish:

Based on the EPI Suite ECOSAR version 1.10 predicted model, the 96 hours LC50 was estimated to be 0.000494 mg/l on Fish for substance Pentene, 2,4,4-trimethyl-, sulfurized  (Cas no. 68515-88-8) on the basis of mortality effects.

Short term toxicity on 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 ten closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Pentene, 2,4,4-trimethyl-, sulfurized (CAS: 68515-88-8). EC50 value was estimated to be 0.33 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be classified in aquatic acute 1 category as per CLP regulation.

Toxicity to aquatic algae and cyanobacteria

Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10 (2017), the 96 hours EC50 was estimated to be 0.004 mg/l on green algae for substance Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515 -88 -8) with growth inhibition effects.Thus, based on this value, it can be concluded that the test chemical Pentene, 2,4,4-trimethyl-, sulfurized can be considered as toxic to aquatic organisms and thus can be classified as aquatic acute category 1 as per the CLP classification criteria.

Additional information

Short-term toxicity to fish:

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 0.000494 mg/l on Fish for substance Pentene, 2,4,4-trimethyl-, sulfurized  (Cas no. 68515-88-8) on the basis of mortality effects using neutral organics class for prediction. Based on this value it can be concluded that the substance Pentene, 2,4,4-trimethyl-, sulfurized is considered to be toxic to fish and thus chemical Pentene, 2,4,4-trimethyl-, sulfurized  (Cas no. 68515-88-8) classified in aquatic acute 1 as per the CLP classification criteria.

Short term toxicity to aquatic invertebrates

Short term toxicity to aquatic invertebrates summary was reviewed for Pentene, 2,4,4-trimethyl-, sulfurized (CAS: 68515-88-8) with two predicted data and one read across are 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 ten closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Pentene, 2,4,4-trimethyl-, sulfurized (CAS: 68515-88-8). EC50 value was estimated to be 0.33 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be classified in aquatic acute 1 category as per CLP regulation.

Another prediction from EPI suite, ECOSAR version 1.1, 2017, based on the effects observed in 48 hr exposure. The lethal concentration (LC50) for the Pentene, 2,4,4-trimethyl-, sulfurized (CAS: 68515-88-8) was estimated to be 0.30 mg/l. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be classified in aquatic acute 1 category as per CLP regulation.

Study was performed in read across 2-ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate (10584-98-2) from IUCLID dataset, 2000 in Daphnia magna for 48 hrs according to the Directive 84/449/EEC, C.2 "Acute toxicity for Daphnia. After the experiment, the EC 50, EC 100 and NOEC value was determined to be 0.035, 0.1 and 0.01 mg/l. Based on the value the chemical was considered to be toxic to aquatic invertebrates and can be classified as aquatic acute 1 category as per CLP regulations.

On the basis of predicted results from target and study from read across, all the above weight of evidence has supported the classification hence it can be considered that Pentene, 2,4,4-trimethyl-, sulfurized (CAS: 68515-88-8)was likely to be toxic to aquatic invertebrates at environmentally relevant concentrations and can be considered to be classified in aquatic acute 1 as per the criteria of CLP regulation.

Toxicity to aquatic algae and cyanobacteria

1 predicted datafor the target chemicalPentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515-88-8) which is supported further by total 3 weight of evidence studies (from secondary source) 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 Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515-88-8) is predicted using the EPI Suite ECOSAR version 1.10 (2017). The 96 hours EC50 was estimated to be 0.004 mg/l on green algae for substance Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515 -88 -8) with growth inhibition effects. Thus, based on this value, it can be concluded that the test chemical Pentene, 2,4,4-trimethyl-, sulfurized can be considered as toxic to aquatic organisms and thus can be classified as aquatic acute category 1 as per the CLP classification criteria.

 

In a supporting weight of evidence study of read across chemical 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS no. 1557 -58 -1) from secondary source (OECD SIDS Initial Assessment Report, 2006), short term toxicity to Scenedesmus subspicatus (algae) study was carried out for 72 hrs. The study was performed according to EU Method C.3 (Algal Inhibition test). The study was based on the effects of the read across compound 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS no. 1557 -58 -1) on Scenedesmus subspicatus in a static fresh water system at an temperature of 25 ± 1°C. A stock solution was prepared by adding 1.00 g of the test substance to 1.01 g of a 96% N,N-dimethylformamide : 4% polyoxy-ethylene-sorbitan monooleate (Tween 80) mixture. A 0.201 g portion of this mixture was brought final volume (1000 ml) with water so that the final test substance concentration was 100.5 mg/l. Scenedesmus subspicatus was used as test organism originally obtained from Pflanzenphysiologisches Institut University Göttingen (Germany), were maintained by the testing laboratory. Tests were conducted at a constant temperature of 25 ± 1°C and light intensity of approximately 8,000 Lux. A vehicle control (31.7 mg N,N-dimethylformamide plus 1.3 mg Tween 80) also was included in the study. Test were performed in triplicates. Temperature and pH were measured at test initiation (0 h) and test termination (72 h). 3 replicates of each test concentration and 6 replicates of the control were examined for cell concentration at 24, 48 and 72 hours. Cell densities were measured at 24, 48, and 72 hours using a cell counter. Based on the effect on growth rate of the test organism Scenedesmus subspicatus, the72hr-NOEC and EC50 values of 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS No.15571 -58 -1) was determined as 0.04 and 0.17mg/L, respectively. Thus, based on EC50 value, it can be concluded that the substance 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate can be considered as toxic to aquatic organisms and thus can be classified as aquatic acute category 1 as per the CLP classification criteria.

 

Another short term toxicity study to Scenedesmus subspicatus (algae) of the same read across chemical 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS no. 1557 -58 -1) was carried out for 72 hrs (OECD SIDS Initial Assessment Report, 2006). The study was performed according to OECD Guideline 201 "Algae, Growth Inhibition Test”. The study was based on the effects of the read across compound 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS no. 15571 -58 -1) on Scenedesmus subspicatus in a static fresh water system at an temperature of 24 ± 2°C. The stock (saturated) solution was prepared by adding 150 mg di-n-octyltin bis(2 -ethylhexylmercaptoacetate) to 1500 ml water. The solution was stirred for 48 hours and then filtered twice, once through a glass fiber filter then again through a 0.45 µm membrane filter. The stock solution was diluted to achieve five nominal test solution concentrations: 10, 18, 32, 58, and 100%. Test chemical conc. used for the study were 0.0093, 0.018, 0.035, 0.061 and 0.12 mg/l (10, 18, 32, 58, and 100%), respectively (measured conc.). Scenedesmus subspicatus was used as test organism. Tests were conducted at a constant temperature of 24 ± 2°C and light intensity of approximately 8,000 Lux, cold white fluorescent light. Test were performed in triplicates. Temperature and pH were measured at test initiation (0 h) and test termination (72 h). 3 replicates of each test concentration and 6 replicates of the control were examined for cell concentration at 24, 48 and 72 hours. Cell density was measured daily using a TOA cell counter. Based on the effect on growth rate of the test organism Scenedesmus subspicatus, the72hr-NOEC and EC50 values of 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate(CAS No.15571 -58 -1) was determined as ≥ 0.06 and > 0.6mg/L, respectively. Thus, based on EC50 value, it can be concluded that the substance 2 -ethylhexyl 10 -ethyl-4,4 -dioctyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate can be considered as toxic to aquatic organisms and thus can be classified as aquatic acute category 1 as per the CLP classification criteria.

 

For another read across chemical2 -ethylhexyl 10 -ethyl-4 -({2 -[(2 -ethylhexyl)oxy]-2 -oxoethyl}sulfanyl)-4 -octyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS no. 27107 -89 -7), short term toxicity to Pseudokirchneriella subspicatus(algae) study was carried out for 72 hrs (OECD SIDS Initial Assessment Report, 2006). The study was performed according to EU Method C.3 (Algal Inhibition test). The study was based on the effects of the read across compound 2 -ethylhexyl 10 -ethyl-4 -({2 -[(2 -ethylhexyl)oxy]-2 -oxoethyl}sulfanyl)-4 -octyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate on Pseudokirchneriella subspicatus in a static fresh water system at an temperature of 24 ± 1°C. A stock solution of the test substance was prepared (30.2 mg test substance in 1000 ml water) and test solutions were prepared as dilutions of the stock solution. Test chemical conc. used for the study were 0.123, 0.37, 1.1, 3.3, 10, and 30 mg/l, respectively. Pseudokirchneriella subspicatus was used as test organism originally obtained from were obtained from the Pflanzenphysiologisches Institut University, Göttingen, Germany. Tests were conducted at a constant temperature of 24 ± 1°C and light intensity of approximately 8,000 Lux. An untreated blank (water, 0 mg test substance/l, six replicates) was tested concurrently. Test were performed in triplicates. Temperature was monitored continuously and pH was measured at 0 and 72 hours exposure. Cell densities were measured with a TOA cell-counter every 24 hours. Based on the effect on growth rate of the test organism, the72hr-EC50 values of 2 -ethylhexyl 10 -ethyl-4 -({2 -[(2 -ethylhexyl)oxy]-2 -oxoethyl}sulfanyl)-4 -octyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate (CAS No.27107 -89 -7) was determined as0.71 mg/l (nominal conc.) and in the range of 0.03 – 0.3 mg/l, respectively. Thus, based on EC50 value, it can be concluded that the substance 2 -ethylhexyl 10 -ethyl-4 -({2 -[(2 -ethylhexyl)oxy]-2 -oxoethyl}sulfanyl)-4 -octyl-7 -oxo-8 -oxa-3,5 -dithia-4 -stannatetradecan-1 -oate can be considered as toxic to aquatic organisms and thus can be classified as aquatic acute category 1 as per the CLP classification criteria.

 

Thus, based on the overall reported results for target chemical Pentene, 2,4,4-trimethyl-, sulfurized(EPI suite, 2017) and for its read across substance (from secondary source OECD SIDS Initial Assessment Report, 2006), it can be concluded that the test substance4Pentene, 2,4,4-trimethyl-, sulfurizedcan be considered as toxic to aquatic environment and thus can be classified as aquatic acute category 1 as per the CLP classification criteria.