Dibenzo[b,f]cyclohepten-1-one

PBT assessment

PBT assessment: overall result

PBT status:

the substance is not PBT / vPvB

Justification:

Classification of Dibenzo[b,f]cyclohepten-1-one for effects in the environment:

 

The chemical Dibenzo[b,f]cyclohepten-1-one (CAS no. 2222-33-5) is used as a pharma intermediate. The aim was to assess whether the PBT criterion within Annex XIII was fulfilled for Dibenzo[b,f]cyclohepten-1-one. 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:

 

Environmental fate

According to the fugacity model levels III, the most likely environmental fate for this test chemical is soil (i.e.estimated to 79.3%). In soil, Dibenzo[b,f]cyclohepten-1-one was expected to have negligible mobility basedupon an estimated Log KOC of 3.56. Thehalf-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, 17.1 % and 3.63% of the chemical will partition into water and sediment, respectively according to the Mackay fugacity model level III in EPI suite version 4.1 (2017). The half-life (37.5 days in water and 337.5 days in sediment estimated by EPI suite) indicates that substance is not persistent in water but persistent in sediment.

 

Hence it has been concluded that Dibenzo[b,f]cyclohepten-1-one is persistent in nature.

 

Although the half-life values reported suggest classification of the substance as very Persistent (vP), it is classified only as Persistent (P) due to lack of experimental data since only estimated values are available.

 

Bioaccumulation assessment

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

 

The estimated BCF value from various databases was determined to be in the range 85 - 261 L/kg wet wt. and the estimated octanol water partition coefficient (Log Kow) of the test chemical is determined as 4.32 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 substance indicates the LC50/EC50 value to be in the range 0.14 - > 2.5 mg/L. These value suggest that the substance is likely to be hazardous to Aquatic organisms at environmentally relevant concentrations and can be considered to be classified in Aquatic acute category 1 as per the CLP regulation.

 

Long-term toxicity evaluation is available for Dibenzo[b,f]cyclohepten-1-one in Daphnia. The long-term NOEC for Daphnia is reported as 0.22 mg/L on the basis of effects on reproduction during a 21 day exposure period.

Since this value is above the threshold of 0.01 mg/L, 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.