Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Justification for type of information:

Data is from OECD SIDS and INERIS Database

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Environmental bioconcentration factor of the test substance Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate in fish was estimated using a SRC-BCFWIN v2.15, program and a log Kow.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
- Molecular formula: C40H44N12O10S2.2K
- Molecular weight: 993.174 g/mol
- Smiles notation: [K+].[K+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)[O-]
- InChl: 1S/C40H44N12O10S2.2K/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Reference substance (positive control):

not specified

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Result based on calculated log Pow of: 0.65

Key result

Type:

BCF

Value:

3 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: BCF value of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate was estimated using a SRC-BCFWIN v2.15, program and a log Kow of 0.65.

Remarks on result:

other: Exact BCF value calculated is 3.162.

Validity criteria fulfilled:

not specified

Conclusions:

The estimated BCF (bioaccumulation factor) of test chemical Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate was determined to be 3.162 dimensionless.

Executive summary:

The bioaccumulation study was conducted in fish for estimating the BCF bioaccumulation factor) value of test chemical Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl) amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate (CAS no. 71230 -67 -6). The BCF value was calculatedusing a SRC-BCFWIN v2.15, program and a log Kow of 0.65. The BCF (bioaccumulation factor) value of Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate was estimated to be 3.162 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate is considered to be non-accumulative in aquatic organisms.

Description of key information

The bioaccumulation study was conducted in fish for estimating the BCF bioaccumulation factor) value of test chemical Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl) amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate (CAS no. 71230 -67 -6). The BCF value was calculatedusing a SRC-BCFWIN v2.15, program and a log Kow of 0.65. The BCF (bioaccumulation factor) value of Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate was estimated to be 3.162 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate is considered to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

3.162 dimensionless

Additional information

Experimental study for the target compound Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate (CAS No. 71230-67-6) and various supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In an experimental weight of evidence study from secondary source (OECD SIDS, 2005) and authoritative database (INERIS, 2009) for the target chemical Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate (CAS No. 71230-67-6), bioaccumulation experiment was conducted in fish for estimating the BCF bioaccumulation factor) value of test chemical Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl) amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate. The BCF value was calculated using a SRC-BCFWIN v2.15, program and a log Kow of 0.65. The BCF (bioaccumulation factor) value of Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate was estimated to be 3.162 dimensionless.

 

For the read across chemical disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate} (CAS no. 16090-02-1) from authoritative databases (J-CHECK, HSDB, 2017 and EnviChem, 2014),bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of read across substance disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}. 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”. Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 94.6%, 2nd concentration area : 91.3%, Fish: 85.9%, - Limit of quantitation: Fish : 0.093 ppm. Test chemical nominal conc. used for the study were 0.2 mg/land 0.02 mg/l, respectively. Dimethyl sulfoxide was used as a vehicle in the study. Range finding study involve the TLm (48 hr) ≥ 50 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate} on Cyprinus carpio was determined to be in the range of 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l, respectively.

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-,sodium salt (1:2) (CAS no.13863-31-5), bioaccumulation experiment was conducted for determining the BCF (bioaccumulation factor) value of read across chemical Benzenesulfonic acid,2,2'-(1,2 -ethenediyl)bis[5 -[[4 -[(2 -hydroxyethyl)methylamino]-6 -(phenylamino)-1,3,5 -triazin-2 -yl]amino]-,sodium salt (1:2). The BCF (bioaccumulation factor) value of Benzenesulfonic acid,2,2'-(1,2 -ethenediyl)bis[5 -[[4 -[(2 -hydroxyethyl)methylamino]-6 -(phenylamino)-1,3,5 -triazin-2 -yl]amino]-,sodium salt (1:2) was determined to be < 2.1 dimensionless.

 

On the basis of above results for target chemical Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate (from secondary source) and for its read across substance (from authoritative databases J-CHECK, HSDB, 2017 and EnviChem, 2014), it can be concluded that the BCF value of test substance Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate was estimated to be 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemicalDipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonateis not expected to bioaccumulate in the food chain.