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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using BCFBAF (v3.01) model
GLP compliance:
not specified
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: p-Methylaminophenol sulfate- IUPAC name: Bis(4-hydroxy-N-methylanilinium) sulphate- Molecular formula: C14H20N2O6S- Molecular weight: 344.386 g/mole- Smiles:CNc1ccc(cc1)O.CNc1ccc(cc1)O.OS(=O)(=O)O- Inchl: 1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)- Substance type: Organic- Physical state: Solid crystalline (off white - white)
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
other: estimation
Water / sediment media type:
natural water: freshwater
Test temperature:
25 deg.C
Reference substance (positive control):
not specified
Key result
Temp.:
25 °C
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non-bioaccumulative
Validity criteria fulfilled:
not specified
Conclusions:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Bis(4-hydroxy-N-methylanilinium) sulphate is non bioaccumulative in food chain.
Executive summary:

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Bis(4-hydroxy-N-methylanilinium) sulphate is non bioaccumulative in food chain.

Description of key information

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Bis(4-hydroxy-N-methylanilinium) sulphate is non bioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):
16.26 L/kg ww

Additional information

Predicted data study for the target compound (4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) and two supporting weight of evidence studies for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:

In a prediction done by using BCFBAF Program (v3.00) model of EPI suite 2017 the bio concentration factor (BCF) for Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) estimated was 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.

Next supporting weight of evidence study done from Hazardous Substance Data Bank (HSDB, 2017) of read across chemical 4-(methylamino)phenol (CAS no. 150-75-4) and BCF value determined was 3.2 dimensionless by using log Kow of 0.79 and regression derived equation.

Another supporting weight of evidence study done from authoritative database (J check, 2017) in this study Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical 4-(anilino)phenol (CAS no 122-37-2) on test organism Cyprinus carpio. Nominal concentrations used were 1st Concentration area: 0.1 mg/L (w/v), 2nd Concentration area: 0.01 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) LC50 (48h) 0.714 mg/L. The vehical used in this study was HCO-40, olive oil. The lipid content of fish at start of exposure was 4.2%. Thus according to flow through Fish Test the BCF value for read across chemical 4-(anilino)phenol was observed to be to be in range 3.3-9.2 dimensionless at dose concentration 0.1 mg/L and 14-49 dimensionless at dose concentration 0.01 mg/L on test organism Cyprinus carpio during 6 weeks period.

On the basis of above results for target chemical Bis(4-hydroxy-N-methylanilinium) sulphate (CAS No. 55-55-0) (from EPI suite 2017) and for its read across chemicals (From HSDB and J check) it can be concluded that the BCF value of test substance Bis(4-hydroxy-N-methylanilinium) sulphate is 16.26 L/Kg which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Bis(4-hydroxy-N-methylanilinium)sulphate is expected to be non bioaccumulative in the food chain.