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

Biodegradation in soil

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in soil: simulation testing

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 computational model developed by US EPA

Qualifier:

no guideline available

Principles of method if other than guideline:

Fugacity Model level III by EPI Suite v 4.1 estimation database

GLP compliance:

not specified

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+]
- InChI: 1S/C26H26ClN9O12S3.2Na/c1-3-36-22(38)19(21(28)37)13(2)20(23(36)39)35-34-17-12-15(7-8-18(17)50(42,43)44)30-26-32-24(27)31-25(33-26) 29-14-5-4-6-16(11-14)49(40,41)10-9-48-51(45,46)47;;/h4-8,11-12,39H,3,9-10H2,1-2H3,(H2,28,37)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;/q;2*+1/p-2/b35-34+;;
- Substance type: Organic

Radiolabelling:

not specified

Oxygen conditions:

other: estimated

Soil classification:

not specified

Parameter followed for biodegradation estimation:

other: Calculated

Soil No.:

#1

% Recovery:

88

Remarks on result:

other: Other details not known

Key result

Soil No.:

#1

% Degr.:

50

Parameter:

other: Half-life

Sampling time:

360 d

Remarks on result:

other: Other details not known

Key result

Soil No.:

#1

DT50:

360 d

Type:

other: estimated data

Temp.:

25 °C

Remarks on result:

other: Other details not known

Transformation products:

not specified

Evaporation of parent compound:

not specified

Volatile metabolites:

not specified

Residues:

not specified

	Mass Amount (Percent)	Half-life (hr)	Emission (kg/hr)
Soil	88	8.64e+003	1000

	Fugacity(atm)	Reaction (kg/hr)	Advection (kg/hr)	Reaction (percent)	Advection (percent)
Soil	4.01e-045	817	0	27.2	0

Conclusions:

Biodegradation half-life of test 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- (sulphonato oxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate in soil was estimated to be 360 days (8640 hrs).

Executive summary:

The half-life period 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 (CAS No. 84000 -63 -5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 88% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period 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] benze nesulphonate in soil is estimated to be 360 days (8640 hrs). Based on this half-life value 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, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to high.

Description of key information

Biodegradation half-life of test 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- (sulphonato oxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate in soil was estimated to be 360 days (8640 hrs).

Key value for chemical safety assessment

Half-life in soil:

360 d

at the temperature of:

25 °C

Additional information

The half-life period 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(CAS No. 84000 -63 -5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 88% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period 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] benze nesulphonatein soil is estimated to be 360 days (8640 hrs). Based on this half-life value 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, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to high.