Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from predictive model developed by US EPA.

Qualifier:

no guideline available

Principles of method if other than guideline:

Estimation of adsorption coefficient (Koc) by using KOCWIN Program (v2.00) of EPI Suite.

GLP compliance:

no

Type of method:

other: MCI Method

Media:

soil

Specific details on test material used for the study:

- Name of test material: Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl -6-oxo-3-pyridyl]azo]- 4-[[4-chloro-6-[[3-[[2- (sulphona tooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate.
- Molecular formula : C26H24ClN9Na2O12S3
- Molecular weight : 832.1576 g/mol
- Smiles notation: CCn1c(c(c(c(c1=O)C (=O)N)C)/N=N/c2cc(ccc2S(=O)(=O)[O-]) Nc3nc(nc(n3)Cl)Nc4cccc(c4)S(=O)(=O)CCOS(=O) (=O)[O-])O. [Na+].[Na+]
- Substance type: Organic

Radiolabelling:

not specified

Test temperature:

25 degC

Analytical monitoring:

not specified

Type:

Koc

Value:

179 L/kg

Temp.:

25 °C

Remarks on result:

other: Log Koc = 2.253 (Estimated via MCI method)

Transformation products:

not specified

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc   : 179 L/kg (MCI method)

Log Koc: 2.253      (MCI method)

Validity criteria fulfilled:

not specified

Conclusions:

The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method.

Executive summary:

The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chem ical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

Description of key information

The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chem ical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatoo xy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

Key value for chemical safety assessment

Koc at 20 °C:

179

Additional information

In a different studies, disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulph onyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene sulphonate(CAS No.84000-63-4) has been investigated for its soil adsorption potential to a greater or lesser extent. These include predicted and experimental study for target substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2- hydroxy-4- methyl- 6-oxo- 3-pyridyl] azo]-4- [[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No.84000- 63-5) and for its closest read across substance disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6) by consid ering its structure-activity relationships, were reviewed and are summarized as follows: 

 

The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chemical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphona tooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

 

Moreover, based on the study from an authoritative database (Hazardous Substances Data Bank (HSDB, 2017) for a read across substance disodium 6-hydroxy-5- [(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6), the soil adsorption/mobility of disodium 6-hydroxy- 5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.-25956-17-6) was determined. Disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato- m-tolyl)azo]naphthalene-2-sulphonate (Allura Red AC dye) is expected to be mobile in soil; this compound will almost entirely exist in anion form in the enviro nment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts.

 

Based on the above studies for target substance and to its read across substance, it can be concluded that the chemical disodium 2-[[5-carbamoyl-1-ethyl- 1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzene sulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

[LogKoc: 2.253]