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REACH

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

EC number: 275-279-7 | CAS number: 71230-67-6

Life Cycle description
Uses advised against

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference

Endpoint:: adsorption / desorption: screening
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 INERIS Database
Qualifier:: according to guideline
Guideline:: other: as mentioned below
Principles of method if other than guideline:: Estimation of soil adsorption coefficient (Koc) 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.
GLP compliance:: not specified
Type of method:: other: No data available
Media:: soil
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
Analytical monitoring:: not specified
: Key result
Type:: Koc
Value:: 8 100 000 L/kg
Remarks on result:: other: Log Koc = 6.908
Transformation products:: not specified
Validity criteria fulfilled:: not specified
Conclusions:: The adsorption coefficient (Koc) 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 8100000 L/Kg.
Executive summary:: Adsorption study was conducted for estimating the adsorption coefficient (Koc) 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 adsorption coefficient (Koc) 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'-disulphonatewas estimated to be 8100000 L/Kg (Log Koc = 6.908). This Koc value indicates that the substance Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Description of key information

Adsorption study was conducted for estimating the adsorption coefficient (Koc) 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 adsorption coefficient (Koc) 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'-disulphonatewas estimated to be 8100000 L/Kg (Log Koc = 6.908). This Koc value indicates that the substance Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'-disulphonate has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:: 8 100 000

Additional information

Various experimental studies 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 supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:

In an experimental weight of evidence study from 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), adsorption experiment was conducted for estimating the adsorption coefficient (Koc) 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 adsorption coefficient (Koc) 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 8100000 L/Kg (Log Koc = 6.908).

Another adsorption study was conducted for estimating the adsorption coefficient (Koc) 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) (OECD SIDS, 2005). The adsorption coefficient (Koc) value was calculated using a PCKOCWIN v.1.66 program. The adsorption coefficient (Koc) 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 8133000000 (Log Koc = 9.91).

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) from authoritative database (HSDB, 2017), adsorption study was conducted for estimating the adsorption coefficient (Koc) 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 adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of substance 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 estimated to be 600000000 (Log Koc = 8.778).

On the basis of above overall 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 authoritative database INERIS, 2009 and secondary source OECD SIDS, 2005) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substanceDipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonateranges from 8100000–8133000000 indicating that the test chemical Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

[LogKoc: 6.908]

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