Benzyltriethylammonium chloride

PBT assessment

PBT assessment: overall result

Reference

Name:

benzyltriethylammonium chloride

Type of composition:

boundary composition of the substance

State / form:

solid: particulate/powder

Reference substance:

benzyltriethylammonium chloride

PBT status:

the substance is not PBT / vPvB

Justification:

Classification of benzyl(triethyl)azanium chloride for effects in the environment:

 

The chemical benzyl(triethyl)azanium chloride(CAS no. 56-37-1) is used as a catalyst in the preparation of 2-phenylbutyronitrile from phenyl acetonitrile. It is involved in the Knoevenagel condensation of carbonyl compounds with active methylene compounds to give olefinic products. It acts as a phase transfer catalyst used in the alkylation reaction.It reacts with 1H-Pyridine-2-thione to get 2-Benzylsulfanyl-pyridine.The aim was to assess whether the PBT criterion within Annex XIII was fulfilled forbenzyl(triethyl)azanium chloride. The PBT criterion was herein assessed based on experimental data in conjunction with standardized environmental fate models. Here follows a description of the PBT assessment.

 

Persistence assessment

The tested substance does not fulfil the P criterion within Annex XIII based on the assessment that here follows:

 

Biotic degradation

28-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the test item. The study was performed at a temperature of 20°C. The test system included control, test item and reference item. Polyseed were used for this study. 1 polyseed capsule were added in 500 ml D.I water and then stirred for 1 hour for proper mixing and functioning of inoculum. This gave the bacterial count as 107 to 108 CFU/ml. At the regular interval microbial plating was also performed on agar to confirm the vitality and CFU count of microorganism. The concentration of test and reference item (Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The % degradation of procedure control (reference item) was also calculated using BOD & ThOD and was determined to be 73.49% at 20 ± 1°C. Degradation of Sodium Benzoate exceeds 43.37% on 7 days & 58.43% on 14th day. The activity of the inoculum is thus verified and the test can be considered as valid. The BOD28 value of test chemical was observed to be 1.22 mgO2/mg. ThOD was calculated as 2.45 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 49.79%. Based on the results, the test item, under the test conditions, was considered to be ultimate inherently biodegradable in nature.

 

Thus, based on the above available information, it has been concluded benzyl(triethyl)azanium chloride is likely to be not persistent in nature.

 

Environmental fate

According to the fugacity model levels III, the most likely environmental fate for this test chemical is soil (i.e.estimated to 87.1%). In soil,benzyl(triethyl)azanium chloridewas expected to have rapid mobility based upon a Log KOC value 0.045, respectively. The half-life in soil (75 days estimated by EPI suite) indicates that the chemical is not persistent in soil and the exposure risk to soil dwelling animals is moderate to low.

 

If released in to the environment, 11.2% of the chemical will partition into water according to the Mackay fugacity model level III in EPI suite version 4.1 (2017). However, the half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low.

 

Moreover, its persistent characteristic is only observed in the sediment compartment but Fugacity modelling shows that sediment is not an important environmental fate (less than 2% i.e. reported as 1.71% when estimated by EPI Suite version 4.1).

 

Hence it has been concluded that benzyl(triethyl)azanium chloride is not persistent in nature.

 

Bioaccumulation assessment

The tested substance does not fulfil the B criterion within Annex XIII based on the assessment that here follows:

 

Theoctanol water partition coefficient of the test chemical ranges was determined to be ranges from -1.0 to 1.394, respectively, which is less than the threshold of 4.5. If this chemical is released into the aquatic environment, there should be a low risk for the chemical to bioaccumulate in fish and food chains.

 

Toxicity assessment

The tested substance does not fulfil the T criterion within Annex XIII based on the assessment that here follows:

 

Mammals

The tested chemical is regarded to be not classified for carcinogenicity, mutagenicity and reprotoxicity, Further, there is no evidence of chronic toxicity, as identified by the classifications STOT (repeated exposure), category 1(oral, dermal, inhalation of gases/vapours, inhalation of dust/mist/fume) or category 2 (oral, dermal, inhalation of gases/vapours, inhalation of dust/mist/fume).

 

Aquatic organisms

All of the available short-term eco-toxicity data for fish, invertebrates and algae for the substancebenzyl(triethyl)azanium chlorideindicates the LC50/EC50 value to be in the range 1.2 mg/l to 694 mg/L, respectively and on the basis ofthelong term eco-toxicity data for fish and aq. invertebrates, the NOEC value was estimated to be ranges from 1799.1 to 6533.2 mg/l, respectively. These value suggest that the substance is likely to be not hazardous to aquatic organisms at environmentally relevant concentrations and can be considered to be not classified as per the CLP regulation.

 

By speculation, long-term NOEC for aquatic organisms were not expected for the substance at concentration below 0.01 mg/L based on the data mentioned above.

 

The chemical was therefore not considered as hazardous to aquatic environments as per the criteria set out in Annex XIII.

 

Conclusion

Based on critical, independent and collective evaluation of information summarized herein, the tested compound does not fulfil the P, B and T criterion and has therefore not been classified as a PBT compound within Annex XIII.