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EC number: 201-346-7 | CAS number: 81-39-0
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic/sediment:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione (CAS No. 81-39-0) is 113.4 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione is non bioaccumulative in food chain.
Additional information
Bioaccumulation: aquatic/sediment:
Various predicted data for the target chemical 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione (CAS No. 81-39-0)were reviewed for the bioaccumulation end point which are summarized as below:
First weight of evidence study was done by using BCFBAF Program (v3.00) model of Estimation Program Interfcae (EPI suite, 2017) the estimated bio concentration factor (BCF) for 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione (CAS No. 81-39-0) is 113.4 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.
Second weight of evidence study was done by using Bio-concentration Factor (v12.1.0.50374) module of(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module in this study the Bio-concentration Factor at range pH 4-14 of the chemical 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione (CAS no.81 -39 -0) estimated to be 36.8 dimensionless.
Third weight of evidence study was done by using Scifinder database of(American Chemical Society (ACS), 2017 in this studythe Bioconcentration factor (BCF) of test substance 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione at pH 4-10 and temperature 25 °C was estimated to be 275.0 dimensionless. This BCF value at pH 1-10 and temperature 25 °C suggests that the test chemical 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione is non bioaccumulative in aquatic organisms.
Fourth weight of evidence study was done by using by Chemspider- ACD/PhysChem Suite ofof Royal Society of Chemistry ( RCS, 2017) in this studythe Bioconcentration factor (BCF) of test substance 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dioneat pH 5.5 and pH 7.4 was estimated to be 337.5 dimensionless. This BCF value suggests that the test chemical 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione is non bioaccumulative in aquatic organisms.
Last weight of evidence study was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test substance 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione (CAS no.81 -39 -0) was estimated to be 105 dimensionless . The predicted BCF result was based on the 5 OECD principles.
On the basis of above results for target chemical 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione (CAS No. 81-39-0) (From EPI suite, ACD labs, Sci Finder database, CompTox Chemistry Dashboard and ChemSpider, 2017) it can be concluded that the BCF value of test substance 3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione ranges from 105.0 to 337.5 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the target chemical is not expected to bioaccumulate in the food chain.
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