Tetrabutylammonium iodide

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

Modelling Database - ECOSAR v.1.11

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): N,N,N-tributylbutan-1-aminium iodide
- Molecular formula (if other than submission substance): C16H36N.I
- Molecular weight (if other than submission substance): 369.367 g/mol
- Smiles notation (if other than submission substance): [N+](CCCC)(CCCC)(CCCC)CCCC.[IH-]
- InChI: 1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: green algae

Test type:

static

Water media type:

freshwater

Total exposure duration:

96 h

Remarks on exposure duration:

Estimated data

Key result

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

203.268 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Neutral Organics

Validity criteria fulfilled:

not specified

Conclusions:

The estimated EC50 values for aquatic algae after 96 hours was 203.268 mg/l on the basis of growth rate.

Executive summary:

The short-term toxicity of the test substance N,N,N-tributylbutan-1-aminium iodide (CAS no. 311 -28 -4) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 203.268 mg/L. Based on this value, it can be concluded that the test chemical N,N,N-tributylbutan-1-aminium iodide can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered to be not classified as per the CLP classification criteria.

Description of key information

The short-term toxicity of the test substance N,N,N-tributylbutan-1-aminium iodide (CAS no. 311 -28 -4) to green algae is predicted using EPI Suite ECOSAR version 1.10 (EPI Suite, 2017). On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 203.268 mg/L. Based on this value, it can be concluded that the test chemical N,N,N-tributylbutan-1-aminium iodide can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered to be not classified as per the CLP classification criteria.

Key value for chemical safety assessment

EC50 for freshwater algae:

203.268 mg/L

Additional information

1 predicted datafor the target chemical N,N,N-tributylbutan-1-aminium iodide(CAS No. 311-28-4) which are supported further by the total 2 weight of evidence studies (1 study from peer reviewed journal and 1 study is 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:

 

The short-term toxicity of the test substance N,N,N-tributylbutan-1-aminium iodide (CAS no. 311 -28 -4) to green algae is predicted using EPI Suite ECOSAR version 1.10 (EPI Suite, 2017). On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 203.268 mg/L. Based on this value, it can be concluded that the test chemical N,N,N-tributylbutan-1-aminium iodide can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered to be not classified as per the CLP classification criteria.

 

In a weight of evidence study of read across compound Tetrabutylammonium bromide (CAS no. 1643-19-2), freshwater algal growth inhibition test was carried out for 96 hr on Pseudokirchneriella subcapitata with the substance Tetrabutylammonium bromide (CAS no. 1643-19-2) according to OECD Guideline 201 (Alga, Growth Inhibition Test) and EPA OPPTS 850.5400 (Algal Toxicity, Tiers I and II), respectively (Chul-Woong Cho et. al; 2008). The study was based on the effects of the read across compound Tetrabutylammonium bromide on Pseudokirchneriella subcapitata in a flowthrough fresh watersystem. The green microalga used as the model algal strain in this study, Selenastrum capricornutum ATCC-22662, was obtained from the National Institute Environmental Research, Korea. The stock alga was cultivated in 250 ml Erlenmeyer flasks, containing 200 ml sterilized nitrate-enriched BBM medium prepared in triple distilled water, to avoid nitrogen limitation during the high-density culture. Experiments were performed in 250 ml Erlenmeyer flasks, containing 55ml of sterilized culture medium, inoculated with 5ml samples of 7-day cultured algae. Solutionsof ionic liquids and organic solvents were subsequently added to the test flasks. The flasks then were placed on a shaker incubator at 170 rpm and 25 deg C, with 24 h light supplied via warm-white fluorescent tubes, with an average illumination of 3075 mEm2 s1. At each determined exposure date, the optical density of the algal biomass was estimated at 438nm using a spectrophotometer (UV mini-1240, Shimadzu, Kyoto, Japan) and average specific growth rate determined. The dry cell weight, corresponding to theoptical density, was determined from the linear relationship; dry cell weight (g/l) = 0.1329 optical density.

Based upon the effect on the growth rate of the test organism Pseudokirchneriella subcapitata, the 48, 72 and 96hr EC50 value was determined to be 300.84, 1542.94 and 721.689 mg/L, respectively. Thus, based on this value, it can be concluded that the read across chemical Tetrabutylammonium bromide can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

 

Another weight of evidence study of short term toxicity to Selenastrum capricornutum (green algae) was carried out for 72 hrs of read across compound N-(carboxymethyl)-3 -(dodecanoylamino)-N,N-dimethylpropan-1 -aminium hydroxide (CAS no. 4292-10-8). The study was performed according to EU Method C.3 (Algal Inhibition test) (High Production Volume Challenge Program; 2016). The study was based on the effects of the read across compound N-(carboxymethyl)-3 -(dodecanoylamino)-N,N-dimethylpropan-1 -aminium hydroxide (CAS no. 4292-10-8) on Selenastrum capricornutum (green algae) in a static fresh water system. Selenastrum capricornutum was used as a test organism. Algae were exposed to the test material at a concentration of 100 mg/l for 72 hours. The flasks containing the control and the treated organisms were stirred at a temperature of 23 ± 2 °C with continuous lighting for 72 hours. After 24, 48 and 72 hours, cell concentration was measured with a Burke chamber. The pH of the culture medium was 8.0 ± 0.5. After 24, 48 and 72 hours, cell concentration was measured with a Burke chamber. After the exposure period of 72 hrs, no difference in algal growth was seen between treated and control groups. The difference between the biomass of the control and treated groups is less than 25%. The difference between the average growth of the treated group and control group was 0.56%.The temperature during the test did not vary more than 1 °C and the pH did not vary more than 0.2 units. Based on effect on growth rate and biomass of the test organism Selenastrum capricornutum (green algae), the 72 hr NOEC and EC50 value was determined to be 100 and > 100 mg/l. Thus, based on the EC50 value, it can be concluded that the read across substance N-(carboxymethyl)-3 -(dodecanoylamino)-N,N-dimethylpropan-1 -aminium hydroxide can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP classification criteria.

 

Based on the overall reported results for target chemical N,N,N-tributylbutan-1-aminium iodide (from EPI Suite, 2017) and for its read across substance (from peer reviewed journal and secondary source), it can be concluded that the test substance N,N,N-tributylbutan-1 -aminium iodide can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP classification criteria.