Butane-1,2,3,4-tetracarboxylic acid

Endpoint summary

Description of key information

Bioaccumulation in aquatic and sediments:

The BCF value of test chemical butane-1,2,3,4-tetracarboxylic acid( CAS no. 1703 -58 -8) estimated by EPI suite v. 4.11 by BCFBAF Program (v3.01) is 3.162 L/ kg. This value is far less than 2000 criteria so it is concluded that this test chemical in non bioaccumulative.

Additional information

Bioaccumulation in aqatic /sediment:

Various predicted data for target chemical Butane-1,2,3,4 -tetracarboxylic acid ( CAS no. 1703 -58 -8) and supporting weight of evidence studies for its read across substances were revied for bioaccumulation endpoints which are summerized as below.

In a prediction done using EPI suite v. 4.11 by BCFBAF Program (v3.01) BCF value of test chemical Butane-1,2,3,4-tetracarboxylic acid (CAS no. 1703 -58 -8) estimated is 3.162 L/ kg. This value is far less than 2000 criteria so it is concluded that this test chemical in non bioaccumulative.

In another prediction done using Bio-concentration Factor (v12.1.0.50374) module ( ACD Advanced chemistry development) I-lab predictive module, 2017 Bio-concentration Factor (BCF) over the entire pH scale of the test chemical Butane-1,2,3,4 -tetracarboxylic acid was estimated to be 1 dimensionless.

Another predicted data was estimated from Sci Finder database ( American chemical society ( ACS), 2017) the bio concentration factor ( BCF) for target chemical Butane-1,2,3,4 -tetracarboxylic acid ( CAS no.1703 -58 -8) was predicted to be 1 dimensionless at pH range 1 -10 at temperature 25 deg. C.

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 Butane-1,2,3,4 -tetracarboxylic acid was estimated to be 4.80 dimensionless . The predicted BCF result based on the 5 OECD principles.

Using Chemspider-ACD/Phychem suite prediction model the bioconcentration factor (BCF) for target chemical Butane-1,2,3,4 -tetracarboxylic acid ( CAS no. 1703 -58 -8) was estimated to be 1 at pH 5.5 and 7.4 at temperature 25 deg. C. Based on the BCF at two different pH it is concluded that the test chemical Butane-1,2,3,4 -tetracarboxylic acid is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

In a supporting weight of evidence study from authoritative database (J check, 2017) for read across chemical 1, 2 -cyclodicarboxylic acid, 4 methyl- ( CAS no. 57567 -84 -7)

Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of substance 1, 2-Cyclohexanedicarboxylic acid, 4-methyl- (CAS no 57567-84-7) on test organism Cyprinus carpio.Nominal concentrations used in the study as - 1st Concentration area: 500 µg/L, 2nd Concentration area : 50 µg/L and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) > 500 mg/L.Thus according to static Fish Test the BCF value for test substance 1,2-Cyclohexanedicarboxylic acid, 4-methyl- (CAS no. 57567-84-7) was observed to be <0.2 L/kg at dose concentration 500 µg/L and <2.4 L/kg at dose concentration 50 µg/L on test organism Cyprinus carpio during 6 weeks period.These BCF values are far less than 2000 and indicate that the substance 1, 2-Cyclohexanedicarboxylic acid, 4-methyl- (CAS no.57567-84-7) is not bioaccumulative in fish and food chain.

On the basis of above results for target chemical Butane 1, 2, 3,4 -tetracarboxylic acid (from EPI suite, ACD labs,SciFinder database, CompTox Chemistry Dashboard and ChemSpider,2017) and for its read across substance from authoritative database J check, it can be concluded that the BCF value of test substance Butane-1,2,3,4 -tetracraboxylic acid from 0.2 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Butane-1, 2, 3, 4- tetracarboxylic acid is not expected to bioaccumulate in the food chain.