Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Prediction of ready biodegradability based on six QSAR models
GLP compliance:
no
Oxygen conditions:
aerobic
Duration of test (contact time):
28 d
Parameter:
other: biodegradation
Sampling time:
28 d
Remarks on result:
other: Result: not readily biodegradable

Summary:

Biowin1 (Linear Model Prediction) : Does Not Biodegrades Fast

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrades Fast

Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant

Biowin4 (Primary Biodegradation Timeframe): Weeks-Months

Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast

Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrades Fast

Ready Biodegradability Prediction: NO

 

 

Results of individual models (Biowin1 to Biowin7):

 

Type

Num

Biowin1 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.1158

0.2316

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.2102

0.4203

Frag

4

Aromatic chloride  [-CL]

-0.1824

-0.7297

Frag

2

 Azo group  [-N=N-]

-0.2418

-0.4837

MolWt

*

Molecular Weight Parameter

-0.4021

Const

*

Equation Constant

0.7475

Result

Biowin1 (Linear Biodeg Probability)

 -0.2159

Type

Num

Biowin2 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.9086

1.8172

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

2.6913

5.3826

Frag

4

 Aromatic chloride  [-CL]

-2.0155

-8.0620

Frag

2

 Azo group  [-N=N-] -8.2194 -16.4388

MolWt

*

Molecular Weight Parameter

  

-11.9926

Result

Biowin2 (Non-Linear Biodeg Probability)

0.0000

A probability greater than or equal to 0.5 indicates --> biodegrades fast

A probability less than 0.5 indicates --> does not biodegrade fast

 

Type

Num

Biowin3 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0564

0.1128

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

-0.0542

-0.1084

Frag

4

Aromatic chloride  [-CL]

-0.2066

-0.8264

Frag

2

 Azo group  [-N=N-]

-0.3004

-0.6007

MolWt

*

Molecular Weight Parameter

  

-1.8663

Const

*

Equation Constant

  

3.1992

Result

Biowin3 (Survey Model - Ultimate Biodeg)

-0.0899

 

Type

Num

Biowin4 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0397

0.0794

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.2054

0.4109

Frag

4

Aromatic chloride  [-CL]

-0.1653

-0.6614

Frag

2

 Azo group  [-N=N-]

-0.0528

-0.1056

MolWt

*

Molecular Weight Parameter

  

-1.2185

Const

*

Equation Constant

  

3.8477

Result

Biowin4 (Survey Model - Primary Biodeg)

2.3526

Result classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(primary & ultimate) 2.00 -> months 1.00 -> longer

 

Type

Num

Biowin5 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0642

0.1285

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.1266

0.2533

Frag

4

Aromatic chloride  [-CL]

0.0062

0.0247

Frag

2

Azo group  [-N=N-]

-0.0459

-0.0917

Frag

22

Aromatic-H

0.0082

0.1808

MolWt

*

Molecular Weight Parameter

 

-2.5125

Const

*

Equation Constant

 

0.7121

Result

Biowin5 (MITI Linear Biodeg Probability)

-1.3049

 

Type

Num

Biowin6 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.4884

0.9768

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.8859

1.7717

Frag

4

Aromatic chloride  [-CL]

-0.2191

-0.8766

Frag

2

Azo group  [-N=N-]

-10.6129

-21.2258

Frag

22

Aromatic-H

0.1201

2.6431

MolWt

*

Molecular Weight Parameter

 

-24.3810

Result

Biowin6 (MITI Non-Linear Biodeg Probability)

0.0000

A probability greater than or equal to 0.5 indicates --> readily degradable

A probability less than 0.5 indicates --> not readily degradable

Type

Num

Biowin7 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0807

0.1614

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

-0.5679

-1.1358

Frag

4

Aromatic chloride  [-CL]

-0.4023

-1.6091

Frag

2

Azo group  [-N=N-]

0.0000

0.0000

Frag

22

Aromatic-H

 -0.0954

-2.0995

Const

*

Equation Constant

0.8361

Result

Biowin7 (Anaerobic Linear Biodeg Prob)

  -3.8468

A probability greater than or equal to 0.5 indicates --> biodegrades fast

A probability less than 0.5 indicates --> does not biodegrade fast

Interpretation of results:
not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable method, meets basic scientific principles
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Estimation of results of OECD screening tests on ready biodegradation in water: CATALOGIC (v5.11.5) BOD 28 days MITI (OECD 301C) v06.07
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge, domestic, non-adapted
Duration of test (contact time):
28 d
Parameter:
% degradation (O2 consumption)
Value:
ca. 0.48
Sampling time:
28 d
Details on results:
Model domain similarity:
- Parametric domain: 100%
- Structural domain: 20.69% (79.31% unknown)
- Mechanistic domain: 100%
Interpretation of results:
not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable method, meets basic scientific principles
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Estimation of results of OECD screening tests on ready biodegradation in water: CATALOGIC (v5.11.5) BOD 28 days MITI (OECD 301C) v06.07
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge, domestic, non-adapted
Duration of test (contact time):
28 d
Parameter:
% degradation (O2 consumption)
Value:
ca. 0.44
Sampling time:
28 d
Details on results:
Model domain similarity:
- Parametric domain: 100%
- Structural domain: 29.03% (70.97% unknown)
- Mechanistic domain: 100%
Interpretation of results:
not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Prediction of ready biodegradability based on six QSAR models
GLP compliance:
no
Oxygen conditions:
aerobic
Duration of test (contact time):
28 d
Parameter:
other: biodegradation
Sampling time:
28 d
Remarks on result:
other: Result: not readily biodegradable

Summary:

Biowin1 (Linear Model Prediction) : Does Not Biodegrades Fast

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrades Fast

Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant

Biowin4 (Primary Biodegradation Timeframe): Weeks-Months

Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast

Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrades Fast

Ready Biodegradability Prediction: NO

 

 

Results of individual models (Biowin1 to Biowin7):

 

Type

Num

Biowin1 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.1158

0.2316

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.2102

0.4203

Frag

4

Aromatic chloride  [-CL]

-0.1824

-0.7297

Frag

2

 Azo group  [-N=N-]

-0.2418

-0.4837

Frag

2

Trifluoromethyl group  [-CF3]

-0.5204

-1.0408

MolWt

*

Molecular Weight Parameter

-0.4430

Const

*

Equation Constant

0.7475

Result

Biowin1 (Linear Biodeg Probability)

-1.2977

 

Type

Num

Biowin2 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.9086

1.8172

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

2.6913

5.3826

Frag

4

Aromatic chloride  [-CL]

-2.0155

-8.0620

Frag

2

Azo group  [-N=N-]

-8.2194

-16.4388

Frag

2

Trifluoromethyl group  [-CF3]

-5.6696

-11.3392

MolWt

*

Molecular Weight Parameter

 

-13.2129

Result

Biowin2 (Non-Linear Biodeg Probability)

0.0000

A probability greater than or equal to 0.5 indicates --> biodegrades fast

A probability less than 0.5 indicates --> does not biodegrade fast

 

Type

Num

Biowin3 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0564

0.1128

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

-0.0542

-0.1084

Frag

4

Aromatic chloride  [-CL]

-0.2066

-0.8264

Frag

2

Azo group  [-N=N-]

-0.3004

-0.6007

Frag

2

Trifluoromethyl group  [-CF3]

-0.5130

-1.0259

MolWt

*

Molecular Weight Parameter

 

-2.0562

Const

*

Equation Constant

 

3.1992

Result

Biowin3 (Survey Model - Ultimate Biodeg)

-1.3058

 

Type

Num

Biowin4 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0397

0.0794

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.2054

0.4109

Frag

4

Aromatic chloride  [-CL]

-0.1653

-0.6614

Frag

2

Azo group  [-N=N-]

-0.0528

-0.1056

Frag

 2

 Trifluoromethyl group  [-CF3]

-0.2744

-0.5488

MolWt

*

Molecular Weight Parameter

 

-1.3425

Const

*

Equation Constant

 

3.8477

Result

Biowin4 (Survey Model - Primary Biodeg)

1.6798

Result classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(primary & ultimate) 2.00 -> months 1.00 -> longer

 

Type

Num

Biowin5 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0642

0.1285

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.1266

0.2533

Frag

4

Aromatic chloride  [-CL]

0.0062

0.0247

Frag

2

Azo group  [-N=N-]

-0.0459

-0.0917

Frag

6

Fluorine [-F]

0.0174

0.1043

Frag

18

Aromatic-H

0.0082

0.1479

MolWt

*

Molecular Weight Parameter

 

-2.7682

Const

*

Equation Constant

 

0.7121

Result

Biowin5 (MITI Linear Biodeg Probability)

-1.4892

 

Type

Num

Biowin6 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.4884

0.9768

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

0.8859

1.7717

Frag

4

Aromatic chloride  [-CL]

-0.2191

-0.8766

Frag

2

Azo group  [-N=N-]

-10.6129

-21.2258

Frag

6

Fluorine [-F]

-3.9878

-23.9271

Frag

18

Aromatic-H

0.1201

2.1625

MolWt

*

Molecular Weight Parameter

 

-26.8619

Result

Biowin6 (MITI Non-Linear Biodeg Probability)

0.0000

A probability greater than or equal to 0.5 indicates --> readily degradable

A probability less than 0.5 indicates --> not readily degradable

 

Type

Num

Biowin7 Fragment description

Coeff

Value

Frag

2

Aromatic alcohol [-OH]

0.0807

0.1614

Frag

2

Amide  [-C(=O)-N or -C(=S)-N]

-0.5679

-1.1358

Frag

4

Aromatic chloride  [-CL]

-0.4023

-1.6091

Frag

2

Azo group  [-N=N-]

0.0000

0.0000

Frag

2

Trifluoromethyl group  [-CF3]

0.0000

0.0000

Frag

6

Fluorine [-F]

0.0000

0.0000

Frag

18

Aromatic-H

 -0.0954

-1.7177

Const

*

Equation Constant

0.8361

Result

Biowin7 (MITI Non-Linear Biodeg Probability)

-3.4651

A probability greater than or equal to 0.5 indicates --> biodegrades fast

A probability less than 0.5 indicates --> does not biodegrade fast

Interpretation of results:
not readily biodegradable

Description of key information

Not readily biodegradable (according to OECD criteria).

Key value for chemical safety assessment

Biodegradation in water:
not biodegradable
Type of water:
freshwater

Additional information

Data on the ready biodegradability of the described substance are not available. However, two model calculations were conducted to assess the biodegradability in a weight of evidence. The EPI Suite v4.10 (BIOWIN Program v4.10) calculation resulted in "not readily biodegradable". Additionally, the biodegradation was calculated by using CATALOGIC v5.11.5 (BOD 28 days MITI (OECD 301C) v06.07). It resulted in ca. 0.48 % biodegradation after 28 d. Even though the structural domain was correct with only 20.69 % (79.31 % unknown) the results support the overall conclusion in the weight of evidence.


Moreover, the 'red disazo pigment' is practically insoluble and therefore considered to be essentially not bioavailable. Due to the large molecular size, cellular uptake of the pigment is unlikely. Hence intracellular biodegradation, which is the main degradation route of bacteria, is probably low. It can be concluded that the substance is likely to persist in the environment. For this reason no ready or inherent degradation studies are proposed.