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Biodegradation in water: screening tests

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Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWAREOASIS Catalogic v5.11.162. MODEL (incl. version number)CATABOL 301C v02.07 - January, 20153. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODELSee section 'Test Material'.4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL See attached QMRF.5. APPLICABILITY DOMAIN See attached QPRF.6. ADEQUACY OF THE RESULT - The model is scientifically valid (see attached QMRF).- The model estimates the biodegradability of a substance Screening information on the ready biodegradability is required for substances manufactured or imported in quantities of 1 t/y or more. Depending on the results, further information may be required for substances manufactured or imported in quantities of 100 t/y or more (simulation testing on ultimate degradation in surface water/soil/sediment). Column 2 of REACH Annex VII provides exemptions for conducting the study. It does not need to be conducted if the substance is inorganic. According to column 2 of REACH Annex IX, testing is not required if the substance is highly insoluble in water, or the substance is readily biodegradable.- See attached QPRF for reliability assessment.
Principles of method if other than guideline:
Estimation of ready biodegradation in water using CATALOGIC v5.11.16 BOD 28 days CATABOL (OECD 301C) v02.07.
GLP compliance:
no
Specific details on test material used for the study:
- Other: SMILEScode: OCCN(CCO)c1ccccc1
Oxygen conditions:
aerobic
Inoculum or test system:
other: Model calculation
Duration of test (contact time):
28 d
Key result
Parameter:
% degradation (O2 consumption)
Value:
2
Sampling time:
28 d

- Concomitant predictions :

Not readily biodegradable

Primary Half Life = 2 years 3 months 7 days

Ultimate Half Life = 2 years 8 months 5 days

- Predicted value (model result): O2 -consumption (BOD) = 0.02

Interpretation of results:
other: not readily biodegradable (according to OECD criteria)
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Acceptable calculation method; meets basic scientific principles; the substance is not within the applicability domain of the model (100% parameter domain; 100% mechanistic domain; 46.15% structural domain, due to unknown fragments).
Justification for type of information:
1. SOFTWAREOASIS Catalogic v5.11.162. MODEL (incl. version number)CATALOGIC Kinetic 301B v02.083. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODELSee section 'Test Material'.4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL See attached QMRF.5. APPLICABILITY DOMAIN See attached QPRF.6. ADEQUACY OF THE RESULT - The model is scientifically valid (see attached QMRF).- The model estimates the biodegradability of a substance. Screening information on the ready biodegradability is required for substances manufactured or imported in quantities of 1 t/y or more. Depending on the results, further information may be required for substances manufactured or imported in quantities of 100 t/y or more (simulation testing on ultimate degradation in surface water/soil/sediment). Column 2 of REACH Annex VII provides exemptions for conducting the study. It does not need to be conducted if the substance is inorganic. According to column 2 of REACH Annex IX, testing is not required if the substance is highly insoluble in water, or the substance is readily biodegradable.- See attached QPRF for reliability assessment.
Principles of method if other than guideline:
Estimation of ready biodegradation in water using CATALOGIC v5.11.16, CATALOGIC Kinetic 301B v02.08:Degradation is followed over 28 days by determining the carbon dioxide produced. The amount of carbon dioxide produced from the test substance (corrected for that derived from the blank inoculum) is expressed as a percentage of ThCO2.
GLP compliance:
no
Specific details on test material used for the study:
- Other: SMILEScode: OCCN(CCO)c1ccccc1
Oxygen conditions:
aerobic
Inoculum or test system:
other: Model calculation
Duration of test (contact time):
28 d
Key result
Parameter:
% degradation (CO2 evolution)
Value:
20
Sampling time:
28 d

- Concomitant predictions :

Not readily biodegradable

Primary Half Life = 29.31 days

Ultimate Half Life = 2 months 7 days

- Predicted value (model result): CO2 - evolution = 0.20


 

Interpretation of results:
other: not readily biodegradable (according to OECD criteria)
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:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWAREOASIS Catalogic v5.11.162. MODEL (incl. version number)CATALOGIC Kinetic 301F v12.15 - January, 20153. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODELSee section 'Test Material'.4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL See attached QMRF.5. APPLICABILITY DOMAIN See attached QPRF.6. ADEQUACY OF THE RESULT - The model is scientifically valid (see attached QMRF).- The model estimates the biodegradability of a substance Screening information on the ready biodegradability is required for substances manufactured or imported in quantities of 1 t/y or more. Depending on the results, further information may be required for substances manufactured or imported in quantities of 100 t/y or more (simulation testing on ultimate degradation in surface water/soil/sediment). Column 2 of REACH Annex VII provides exemptions for conducting the study. It does not need to be conducted if the substance is inorganic. According to column 2 of REACH Annex IX, testing is not required if the substance is highly insoluble in water, or the substance is readily biodegradable.- See attached QPRF for reliability assessment.
Principles of method if other than guideline:
Estimation of ready biodegradation in water using CATALOGIC v5.11.16, CATALOGIC Kinetic 301F v13.15:The Endpoint is Biological Oxygen Demand (BOD) according to OECD 301F. BOD is the oxygen used by aerobic microorganisms to mineralize the test substance after a given time (28 days), corrected for oxygen uptake by the blank inoculum control after the same time, and related to the theoretical oxygen demand needed for full mineralization of the substance.
GLP compliance:
no
Specific details on test material used for the study:
- Other: SMILEScode: OCCN(CCO)c1ccccc1
Oxygen conditions:
aerobic
Inoculum or test system:
other: Model calculation
Duration of test (contact time):
28 d
Key result
Parameter:
other: BOD
Value:
16
Sampling time:
28 d

- Concomitant predictions :

Not readily biodegradable

Primary Half Life = 29.21 days

Ultimate Half Life = 3 months 22 days

- Predicted value (model result): BOD (28 days) = 0.16


 

Interpretation of results:
other: not readily biodegradable (according to OECD criteria)
Endpoint:
biodegradation in water: screening test, other
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: Only basic data given. No guideline study. In addition, the inoculum was pre-exposed to the test substance.
Qualifier:
no guideline followed
Principles of method if other than guideline:
- Principle of test: The study was conducted using the 'Hach Manometric Method' described by Tool (1967).- Short description of test conditions: The substance was tested for biodegradability employing a bacterium (belonging to genus Pseudomonas) isolated from an industrial cutting fluid.- Parameters analysed / observed: O2 consumption
GLP compliance:
not specified
Oxygen conditions:
not specified
Inoculum or test system:
other: bacterium (belonging to genus Pseudomonas) isolated from an industrial cutting fluid
Details on inoculum:
- Method of cultivation: Prior to inoculation, the isolate was transferred twice to nutrient agar plates supplemented with 100 mg/L of the specified amine. The mid-log cells were washed three times by centrifugation in phosphate-buffered saline and rested 12 h to reduce endodenous respiration. The preparation of the final inoculum and growth conditions during these studies have been described by Williams and Bennett (1973). - Initial cell/biomass concentration: approximately 1.0 x 10^4
Duration of test (contact time):
240 h
Parameter followed for biodegradation estimation:
O2 consumption
Key result
Parameter:
% degradation (O2 consumption)
Value:
0.47
Sampling time:
240 h
Key result
Parameter:
BOD5
Value:
0.01 other: mg O2/mg test mat.
Interpretation of results:
not readily biodegradable

Description of key information

Not readily biodegradable (according to OECD criteria).

Key value for chemical safety assessment

Additional information

The biodegradability of 2,2'-phenyliminodiethanol was investigated by Gannon et al. (1978) conducting manometric measurements of the biological oxygen demand according to the methods described in Tool, R. H. (1967) and using a bacterium (belonging to genus Pseudomonas) as test organism. Degradation was 0.5% after 10 d. The method of investigation has deficiencies as the inoculum was pre-exposed to the test substance (reliability 4).

 

In addition, the biodegradation was estimated using several estimation models, supporting the poor biodegradability of the substance:

- Catalogic v5.11.16, CATABOL OECD 301C v02.07:

The model predicted the substance to be not readily biodegradable. Based on O2-consumption (BOD), the model estimated 2% biodegradation after 28 days; the primary half-life was calculated to 2 years, 3 months and 7 days. The substance is 100% within the applicability domain of the model .

- Catalogic v5.11.16, CATALOGIC Kinetic (OECD 301B) v.02.08:

The model predicted the substance to be not readily biodegradable. Based on CO2-evolution, the model estimated 20% biodegradation after 28 days; the primary half-life was calculated to be 29.31 days. The substance is not within the applicability domain of the model (100% parameter domain; 100% mechanistic domain; 46.2% structural domain, due to unknown fragments).

- Catalogic v5.11.16, CATALOGIC Kinetic 301F v12.15:

The model predicted the substance to be not readily biodegradable. Based on BOD, the model estimated 16% biodegradation after 28 days; the primary half-life was calculated to be 29.21 days. The substance is 100% within the applicability domain of the model. 

 

Based on weight-of-evidence approach, it can be concluded that the substance is not readily biodegradable (according to OECD criteria).