Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate

PBT assessment

PBT assessment: overall result

PBT status:

the substance is not PBT / vPvB

Justification:

Classification of 4-amino-N-(4-aminophenyl)-N-(4-methylidenecyclohexa-2,5-dien-1-ylidene)anilinium acetate for effects in the environment:

 

The chemical4-amino-N-(4-aminophenyl)-N-(4-methylidenecyclohexa-2,5-dien-1-ylidene)anilinium acetate(CAS no. 6035-94-5) is used as a dye. The aim was to assess whether the PBT criterion within Annex XIII was fulfilled for 4-amino-N-(4-aminophenyl)-N-(4-methylidenecyclohexa-2,5-dien-1-ylidene)anilinium acetate. 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 fulfils the P criterion within Annex XIII based on the assessment that here follows:

 

Biotic degradation

Biodegradability of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035-94-5) is predicted using OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor. Test substance undergoes 0.40 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was estimated to be not readily biodegradable in water.

 

Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035 -94 -5) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate is expected to be not readily biodegradable.

 

Experimental results from the similar substances (CAS no: 81-11-8 and 599-61-1) also indicate that they are not readily biodegradable.

 

Environmental fate

According to the fugacity model levels III, the most likely environmental fate for this test chemical is soil (i.e.estimated to 59.8%). In soil,4-amino-N-(4-aminophenyl)-N-(4-methylidenecyclohexa-2,5-dien-1-ylidene)anilinium acetatewas expected to have negligible mobility based upon a Log KOC value 5.0967. 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, 34.7% of the chemical will partition into sediment according to the Mackay fugacity model level III in EPI suite version 4.1 (2017). However, the half-life (337.5 days estimated by EPI suite) indicates that the chemical is very persistent in sediment and the exposure risk to soil dwelling animals is moderate to high. 

 

Moreover, its persistent characteristic is not observed in the water compartment with a half-life of 37.5 days (estimated by EPI Suite version 4.1), indicating that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low.

 

Although the half-life value in sediment compartment indicate the chemical to be Very Persistent (vP), since only predicted data is available for the substance, it has been concluded that4-amino-N-(4-aminophenyl)-N-(4-methylidenecyclohexa-2,5-dien-1-ylidene)anilinium acetateis considered to be persistent in nature.

 

Bioaccumulation assessment

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

 

Theestimated BCF value from authoritative database was determined to be in the range from 1 to 18.6, respectively and theoctanol water partition coefficient of the test chemical is 3.1937 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

As per Column 2 (Annex VIII) of the REACH regulation,testing for this end point is considered scientifically unjustified since there are mitigating factors indicating that aquatic toxicity is unlikely to occur as the substance is highly insoluble in water (solubility: 0.0017 mg/L at 25° C). 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 fulfils the P criterion but does not fulfil the B and T criterion and has therefore not been classified as a PBT compound within Annex XIII.