Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

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:
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.