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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Environmental fate & pathways

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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.