3'-nitroacetophenone

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species, other

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is from authorative database

Qualifier:

according to guideline

Guideline:

other: Refer below principle

Principles of method if other than guideline:

Environmental Bioconcentration of test substance m-nitroacetophenone was determine using an appropriate regression equation.

GLP compliance:

not specified

Specific details on test material used for the study:

- EC name:3'-nitroacetophenone
- Name of test material (as cited in study report): m-nitroacetophenone
- Molecular formula (if other than submission substance): C8H7NO3
- Molecular weight (if other than submission substance): 165.147 g/mol
- Smiles notation (if other than submission substance): c1(cc(ccc1)[N+](=O)[O-])C(C)=O
- InChI: 1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: fish and aquatic organisms

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Hardness:

No data

Test temperature:

No data

pH:

No data

Dissolved oxygen:

No data

TOC:

No data

Salinity:

No data

Conductivity:

No data

Details on test conditions:

No data

Nominal and measured concentrations:

No data

Reference substance (positive control):

not specified

Type:

BCF

Value:

7.1 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: No data

Validity criteria fulfilled:

not specified

Conclusions:

From authorative database HSDB an estimated BCF of 7.1 (dimensionless) was calculated for 3'-nitroacetophenone (i.e m-nitroacetophenone),using an appropriate regression equation.

Executive summary:

Based on an experimental log octanol water partition coefficient of 1.42, a bioconcentration factor of 7.1 (dimensionless)can be calculated for 3'-nitroacetophenone (i.e m-nitroacetophenone) using an appropriate regression equation. This value indicates that 3'-nitroacetophenone will not bioconcentrate in fish and aquatic organisms.

Description of key information

Based on an experimental log octanol-water partition coefficient of 1.42, a bioconcentration factor of 7.1 (dimensionless) can be calculated for 3'-nitroacetophenone (i.e m-nitroacetophenone) using an appropriate regression equation. This value indicates that 3'-nitroacetophenone will not bioconcentrate in fish and aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

7.1 dimensionless

Additional information

Four studies including experimental and prediction report from validated models for Bioaccumulation endpoint for the target chemical 3'-nitroacetophenone (Cas no. 121-89-1) were reviewed to summarize as follows:  

 

First report is from authorative database (HSDB database; 2017) for target chemical 3'-nitroacetophenone, which suggest that based on an experimental log octanol water partition coefficient of 1.42, a bioconcentration factor of 7.1 (dimensionless) can be calculated for 3'-nitroacetophenone (i.e m-nitroacetophenone) using an appropriate regression equation. This value indicates that 3'-nitroacetophenone will not bioconcentrate in fish and aquatic organisms.

 

Above experimental study supported by another predicted report of EPI suite using BCFBAF Program (v3.01) model which indicate the Bioaccumulation factor (BCF) was predicted to be 1.044 L/kg wet-wt at 25 deg.C for target chemical3'-nitroacetophenone.The predicted BCF value does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 3'-nitroacetophenone is not expected to bio accumulate in the food chain.

 

Another predicted database i.e PBT profiler indicate the Bioaccumulation factor (BCF) was predicted to be 1 L/kg wet-wt at 25 deg.C. Based on the BCF concentration it is concluded that the test chemical 3'-nitroacetophenone is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

 

Last evidence from Scifinder database suggest the Bioconcentration factor (BCF) for target chemical 3'-nitroacetophenone was predicted to be 7.07 at pH 1-10 and temperature 25 deg.C.Based on the BCF concentration it is concluded that the test chemical 3'-nitroacetophenone is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

All experimental and predicted data source gives BCF value in the range of 1-7.1 (L/kg wet-wt or dimensionless), Thus based on the available BCF range concluded that the target chemical 3'-nitroacetophenone (Cas no. 121-89-1) is non Bioaccumulative in aquatic environment.