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EC number: 258-237-2 | CAS number: 52888-49-0
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (CAS No. 52888 -49 -0). The bioconcentration factor (BCF) of 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 27.08 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data for the target compound 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester(CAS No. 52888-49-0) and supporting weight of evidence study for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (CAS No. 52888 -49 -0). The bioconcentration factor (BCF) of 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 27.08 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBio-concentration Factor (BCF) over the entire pH scale of the test substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 1, 5.05, 25.8, 44.7, 48.3 and 48.7 at pH range 0-1, 2, 3, 4, 5 and 6-14, respectively.
Bioconcentration Factor (BCF) of test chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 40.20 at pH 5.5 and 40.31 at pH 7.4, respectively.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (CAS No. 52888 -49 -0). The bioconcentration factor (BCF) of 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 1, 1.55, 7.93, 13.7, 14.8, 14.9 and 15.0 at pH range 1, 2, 3, 4, 5, 6 and 7-10, respectively (at 25 deg C).
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Metalaxyl (CAS no. 57837-19-1),bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical Metalaxyl. The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.65 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of Metalaxyl was determined to be 4 dimensionless.
For the read across chemical 3,4-dimethylaniline (CAS no. 95-64-7) from authoritative database (J-CHECK, EnviChem and HSDB, 2017),bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of read across 3,4-dimethylaniline.The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 1 mg/l and 0.1 mg/l, respectively. Range finding study involve the TLm (48 hr) 121 mg/l (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 3,4-dimethylaniline on Cyprinus carpio was determined to bein the range of 1.9-3.3 L/Kg at a conc. of 1 mg/l and ≤ 10 L/Kg at a conc. of 0.1 mg/l, respectively.
On the basis of above results for target chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (from EPI suite, ACD labs,ChemSpider and Scifinder, 2017) and for its read across substance from authoritative database (HSDB, EnviChem & J-CHECK), it can be concluded that the BCF value of test substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl esterranges from 15.0 – 48.7 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester is not expected to bioaccumulate in the food chain.
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