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EC number: 815-961-9 | CAS number: 1374760-95-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Not applicable
- 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
- Remarks:
- The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.1
2. MODEL (incl. version number)
BIOWIN v4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Cc1ccc(OCC(=O)N(Cc3cccs3)c2ccnn2)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached QMRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Qualifier:
- according to guideline
- Guideline:
- other: Reach Guidance on QSAR - R.6
- Deviations:
- no
- Principles of method if other than guideline:
- QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
- GLP compliance:
- no
- Specific details on test material used for the study:
- No additional information
- Details on inoculum:
- not applicable
- Details on study design:
- not applicable
- Preliminary study:
- not applicable
- Test performance:
- not applicable
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- Biowin 1 (linear model prediction) = Biodegrades Fast
Biowin 2 (non-linear model prediction) = Biodegrades Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does Not biodegrade Fast
Ready Biodegradability Prediction: NO
See details in "Any other information on results incl. tables". - Results with reference substance:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- It is expected that the substance is not readily biodegradable.
- Executive summary:
The substance ready biodegradation property was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.
The Biowin 3 result is "weeks-months" and the Biowin 5 probability is less than 0.5, therefore the prediction is not readily biodegradable. In conclusion, it's expected that the substance is not readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 01 December 2017 to 30 December 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to : OECD 301B CO2 evolution test (1992) and 301B CO2 Evolution Test (Guidelines for the Testing of Chemicals Degradation and Accumulation,Second Edition. Beijing: China Environmental Science Press. 2013: 32-37)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Version / remarks:
- OECD Guidelines for Testing of Chemicals, 301B CO2 Evolution Test. Paris: OECD. Adopted 17th July, 1992.
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- other: 301B CO2 Evolution Test, China Environmental Science Press
- Version / remarks:
- Chemical Registration Center of MEP. The Guidelines for the Testing of Chemicals Degradation and Accumulation, 301B CO2 Evolution Test[M]. Second Edition. Beijing: China Environmental Science Press. 2013: 32-37.
- Deviations:
- not specified
- GLP compliance:
- yes
- Remarks:
- Statement of GLP compliance
- Specific details on test material used for the study:
- - Stability : Stable in container after opening/in water/in light. The product is stable after opening as it is stable in air.
- Storage : Conditions It is good general practice to store in closed, preferably full, containers away from heat sources, and protected from extremes of temperature. Do not re-use the empty container.Respect general rules for compatibility storage.Dry area, unopened containers, optimum temp. 11°C -25°C. - Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Aeration tank of Liede Sewage Treatment Plant of Guangzhou
- Batch No. : IAs20171128-1
- Treatment: The sludge was removed any coarse particles and impurities on the surface and washed with the test medium for one time, the supernatant liquid phase was decanted and the solids were re-suspended in the test medium. The dry weight of the suspended solids was determined and the concentration was adjusted to 4.0 g suspended solids per liter. The sludge was kept aerobic until required. 15.0mL of the above inoculum was added into each test bottle to give a final concentration of 30 mg suspended solids per liter.
- Determination of cell number : The cell number of inoculum in the test system was determined as 3.3×107 cfu per liter.
- Inoculum concentration : 30 mg/L - Duration of test (contact time):
- 28 d
- Initial conc.:
- 19.7 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS
- Composition of medium:
Stock solutions for test medium
Stock solution (a)
Potassium dihydrogen orthophosphate 8.50g
KH2PO4
Dipotassium hydrogen orthophosphate 28.50g
trihydrate K2HPO4·3H2O
Sodium phosphate dibasic dodecahydrate 67.15g
Na2HPO4·12H2O
Ammonium chloride NH4Cl 0.50g
Dissolved in water and made up to 1L. The pH value is 7.41.
Stock solution (b)
Anhydrous calcium chloride 13.75g
CaCl2
Dissolved in water and made up to 0.5L.
Stock solution (c)
Magnesium sulphate heptahydrate 11.25g
MgSO4·7H2O
Dissolved in water and made up to 0.5L.
Stock solution (d)
Iron (Ш) chloride hexahydrate 0.125g
FeCl3·6H2O
Dissolved in water and made up to 0.5L.
10mL of solution (a) was mixed with 800mL of deionized water, then 1mL of solutions (b), (c) and (d) were added respectively and then made up to 1L with deionized water. 20L of the test medium was prepared.
- Test temperature: 20.0°C - 24.0°C
- pH: 7.45 - 7.56 (at the start of test) ; 7.54 - 7.85 (at the end of test)
- Deionized water was used to prepare the stock solutions.
- Suspended solids concentration: Final concentration of 30 mg suspended solids per liter.
TEST SYSTEM
- Number of culture flasks/concentration: 2 ; 1 flask for procedure control : containing reference substance, inoculum and test medium ; 1 flask for the toxicity control : containing test substance, reference substance, inoculum and test medium
- Method used to create aerobic conditions: 3L flasks, each fitted with an aeration tube reaching nearly to the bottom of the vessel and an outlet.
A measured volume of inoculated mineral medium, containing a known concentration of the test substance (12.3mg TOC/L) as the nominal sole source of organic carbon was aerated by the passage of carbon dioxide-free air at a controlled rate in the dark.
- Measuring equipment:
VarioTOC total organic carbon/nitrogen analyzer GNP-9050 Water-Jacket, No. : IE (GLP) 386, Elementar GmbH
Thermostatic Constant Incubator, No. IE (GLP) 073, Shanghai Jing Hong Experimental Equipment Co., Ltd.
BSC - 1360 II A2 Biological safety cabinet, IE (GLP) 082, Guangzhou Reymont Science Laboratory Equipment Co., Ltd.
DSR series Temperature and humidity recorder, IE (GLP) 336, ZOGLAB Microsystem Co.,Ltd.
- Details of trap for CO2 and volatile organics if used: The CO2 was trapped in barium hydroxide and was measured by titration of the residual hydroxide. The amount of carbon dioxide produced from the test substance (corrected for that derived from the inoculum blank) was expressed as a percentage of ThCO2.
CONTROL AND BLANK SYSTEM
- Inoculum blank: Containing only inoculum and test medium
- Toxicity control: Containing test substance, reference substance, inoculum and test medium - Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 13.6
- Sampling time:
- 28 d
- Remarks on result:
- other: not readily biodegradable under the test conditions
- Details on results:
- On day 14 of the test, percentage biodegradation of the procedure control and the toxicity control were 74.2% and 26.7%, respectively, which had reached the pass levels of 60% and 25% of the theoretical amount of CO2 produced. The total CO2 evolution in the inoculum blank at the end of the test was 65.7 mg/L, which was less than 70 mg/L. At the beginning of the test, total inorganic carbon (TIC) concentration of the test medium in the test solution was 0.1 mg/L, less than 5% of TC. During the test, the difference of extremes of replicate values of the removal of the test substance was less than 20%. The above results were all met the requirement of the test, which revealed that the test results were valid.
Under the conditions of the study, percentage biodegradation of the test substance on 28d were 13.8% and 13.4%, the mean was 13.6%. - Results with reference substance:
- On day 14 of the test, percentage biodegradation of the procedure control (containing reference substance, inoculum and test medium) and the toxicity control (containing test substance, reference substance, inoculum and test medium) were 74.2% and 26.7%, respectively, which had reached the pass levels of 60% and 25% of the theoretical amount of CO2 produced.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The validity criteria were fulfilled : At the beginning of the test, TIC concentration of the test medium in the test solution was 0.1 mg/L, which was 0.7% of TC, less than 5%. The total CO2 evolution in the inoculum blank at the end of the test was 65.7 mg/L, which was less than 70 mg/L. Percentage biodegradation of the procedure control and the toxicity control were 74.2% and 26.7%, which were greater than 60% and 25%, respectively (based on the total ThCO2) within 14 days. During the test, the difference of extremes of replicate values of the removal of the test substance was less than 20%.
Percentage biodegradation of the test substance was 13.6% at the end of the test under the conditions of the study and the test substance was not considered to be readily biodegradable. - Executive summary:
The ready biodegradability of the test item has been determined by the CO2 Evolution test following the OECD guideline 301B (1992) and the Chinese guideline 301B (China Environmental Science Press. 2013), with GLP compliance. The validity criteria were fulfilled.
A nominal concentration of 19.7 mg/L was introduced into the system.
On day 14 of the test, percentage biodegradation of the procedure control and the toxicity control were 74.2% and 26.7%, respectively, which had reached the pass levels of 60% and 25% of the theoretical amount of CO2 produced, which showed that the inoculum activity met the requirement of the test and the test substance was considered not to have a toxic effect on the sewage sludge micro-organisms used in the study. Percentage biodegradation of the test substance after 28 days of exposure were 13.8% and 13.4%, the mean was 13.6%.
The average percentage biodegradation of the test substance was consequently 13.6% at the end of the test, under the conditions of the study.
The test substance was not considered to be readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- From April 7th, 2017 to June 6th, 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test)
- Version / remarks:
- OECD guidelines for testing of Chemicals (1992) N°301F Ready Biodegradability; Manometric Respirometry Test.
- Deviations:
- yes
- Remarks:
- no abiotic and toxicity controls, no details on the analytical method.
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Sludge was collected from the wastewater treatment plant of Villette (canton Geneva, Switzerland) which predominantly treats municipal sewage.
- Storage conditions: The sample of activated sewage sludge was maintained under continuous aeration upon receipt.
- Preparation of inoculum for exposure: A sample of the activated sewage sludge was washed three times by settlement (centrifuge: Heittich rotenta 460 RS) and suspension in culture medium. To remove any excessive amounts of Dissolved Organic
Carbon (DOC) that may have been present, the solution was stirred and maintained with pure oxygen at room temperature. Determination of dry weight was made to inoculate the final test solution with 30mg/L dry weight activated sludge.
- Concentration of sludge: All test vessels contained the prepared activated (30mg/l) sludge inoculum in mineral medium. - Duration of test (contact time):
- 28 d
- Initial conc.:
- 100 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST CONDITIONS
- Composition of medium: The mineral medium was made up according to the OECD guideline and contained the following nutrients per litre of MilliQ water: 85 mg of KH2PO4, 217.5 mg of K2HPO4, 334 mg of Na2HPO4.2H2O, 5 mg of NH4Cl, 22.5 mg of MgSO4.7H2O, 36.4 mg of CaCl2.2H2O, 0.25 mg of FeCl3.6H2O.
- Test temperature: 22 °C
- pH adjusted: yes, before use, the pH of the medium was adjusted to 7.4 ± 0.2°C.
- Aeration : The sample of activated sewage sludge was maintained under continuous aeration upon receipt.
TEST SYSTEM
- The test was carried out in nominal 250mL serum bottles, sealed by a sensor head/CO2 trap in a temperature controlled incubator. The bottles have an actual volume of 310 mL, and 100 mL of test solution was added to each bottle. The bottles were incubated at 22 ºC for up to 28 days. The samples were stirred for the duration of the study with a magnetically coupled stirrer. WTW oxitopC calculate automatically the consumption of oxygen allowing expressing it as a
% of THOD.
- Number of culture flasks/concentration: 2 replicates were performed
- Measuring equipment: Serum bottles were sealed by a sensor head/CO2 trap in a temperature controlled incubator. WTW oxitopC calculate automatically the consumption of oxygen allowing expressing it as a % of THOD.
- Test performed in closed vessels: Serum bottles were sealed by a sensor head/CO2 trap
- Details of trap for CO2 and volatile organics if used: Serum bottles were sealed by a sensor head/CO2 trap. As biodegradation progresses, the micro-organisms convert oxygen to carbon dioxide which is absorbed into NaOH causing a net reduction in gas pressure within the sample flask.
SAMPLING
- Sampling was done after 28 days of exposure
CONTROL AND BLANK SYSTEM
- Inoculum blanks: contained no test substance, to measure the sludge endogenous respirometry, and to demonstrate there was no other carbon source in the medium and used to correct the relevant test vessels.
- Abiotic sterile control: no abiotic sterile control
- Toxicity control: no toxicity control
- Positive control : contained sodium benzoate at ~100 mg/l, to demonstrate the viability of the inoculum. - Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- 0
- Sampling time:
- 28 d
- Details on results:
- The calculated Theoretical Oxygen Demand values for the test and reference material are given in Table 1.
The cumulative BOD values for the test item, reference material, toxicity control and control vessels at each analysis occasion are given in Table 2.
Percentage biodegradation values for the test and reference materials are given in Table 3 and the biodegradation curves are presented in Figure 1 (see attached background material). - Results with reference substance:
- Sodium benzoate was degraded at 99% after 14 days.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test substance was tested under modified conditions, without an abiotic and a toxicity test. This test material attained 0% mean degradation after 28 days. Therefore the test material cannot be considered to be readily biodegradable under the strict terms and conditions of OECD Guideline.
- Executive summary:
The ready biodegradability of the test substance was tested according to OECD guideline 301 F (no GLP). the test substance was tested at concentration of 100 mg/L.
For the purpose of determining the biodegradability potential of its perfume ingredients used in Personal and Home Care applications, the sponsor developed a non GLP high through put biodegradation test. The biodegradation test was carried out in the Biodegradation laboratory facilities according to the principles of the manometric respirometry method (Biochemical Oxygen Demand BOD; OECD 301F). The test substance was tested under modified conditions, without an abiotic and a toxicity test. This test material attained 0% mean degradation after 28 days. Therefore the test material cannot be considered to be readily biodegradable under the strict terms and conditions of OECD Guideline.
Referenceopen allclose all
Table 5.2.1/1: Biowin 1 result
TYPE |
NUM |
Biowin 1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag MolWt Const |
1 1 1 * * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Alkyl substituent on aromatic ring Molecular weight parameter Equation constant |
0.2102 0.1319 0.0547 |
0.2102 0.1319 0.0547 -0.1559 0.7475 |
RESULT |
Biowin 1 (linear biodeg probability) |
0.9884 |
The fragments present in the molecule are within the applicability domain of the model.
For Biowin 1: a probability greater than or equal to 0.5 indicates -> Biodegrades Fast
Table 5.2.1/2: Biowin 2 result
TYPE |
NUM |
Biowin 2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag MolWt |
1 1 1 * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Alkyl substituent on aromatic ring Molecular weight parameter |
2.6913 2.2483 0.5771 |
2.6913 2.2483 0.5771 -4.6491 |
RESULT |
Biowin 2 (non-linear biodeg probability) |
0.9797 |
The fragments present in the molecule are within the applicability domain of the model.
For Biowin 2: a probability greater than or equal to 0.5 indicates -> Biodegrades Fast
Table 5.2.1/3: Biowin 3 result
TYPE |
NUM |
Biowin 3 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag MolWt Const |
1 1 1 * * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Alkyl substituent on aromatic ring Molecular weight parameter Equation constant |
-0.0542 -0.0581 -0.0749 |
-0.0542 -0.0581 -0.0749 -0.7235 3.1992 |
RESULT |
Biowin 3 (survey model – ultimate biodeg) |
2.2885 |
The fragments present in the molecule are within the applicability domain of the model.
For Biowin 3: 2.0 = months; 3.0 = weeks; 4.0 = days
Table 5.2.1/4: Biowin 4 result
TYPE |
NUM |
Biowin 4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag MolWt Const |
1 1 1 * * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Alkyl substituent on aromatic ring Molecular weight parameter Equation constant |
0.2054 0.0771 -0.0685 |
0.2054 0.0771 -0.0685 -0.4724 3.8477 |
RESULT |
Biowin 4 (survey model – primary biodeg) |
3.5894 |
The fragments present in the molecule are within the applicability domain of the model.
For Biowin 4: 2.0 = months; 3.0 = weeks; 4.0 = days
Table 5.2.1/5: Biowin 5 result
TYPE |
NUM |
Biowin 5 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag Frag Frag Frag MolWt Const |
1 1 1 1 9 1 * * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Aromatic -CH3 Aromatic -CH2 Aromatic -H -CH2 - [linear] Molecular weight parameter Equation constant |
0.1266 0.1952 0.0415 -0.0557 0.0082 0.0494 |
0.1266 0.1952 0.0415 -0.0557 0.0740 0.0494 -0.9740 0.7121 |
RESULT |
Biowin 5 (MITI linear biodeg probability) |
0.1691 |
The fragments presents in the molecule are within the applicability domain of the model.
For Biowin 5: a probability less than 0.5 indicates -> Not Readily degradable.
Table 5.2.1/6: Biowin 6 result
TYPE |
NUM |
Biowin 6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag Frag Frag Frag MolWt |
1 1 1 1 9 1 * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Aromatic -CH3 Aromatic -CH2 Aromatic -H -CH2 - [linear] Molecular weight parameter |
0.8859 1.3227 0.3072 -0.1246 0.1201 0.4295 |
0.8859 1.3227 0.3072 -0.1246 1.0813 0.4295 -9.4517 |
RESULT |
Biowin 6 (MITI non-linear biodeg probability) |
0.0463 |
The fragments presents in the molecule are within the applicability domain of the model.
For Biowin 6: a probability less than 0.5 indicates -> Not Readily degradable.
Table 5.2.1/7: Biowin 7 result
TYPE |
NUM |
Biowin 7 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag Frag Frag Frag Frag Frag Const |
1 1 1 1 1 9 1 * |
Amide [-C(=O)-N or -C(=S)-N] Aromatic ether [-O-aromatic carbon] Alkyl substituent on aromatic ring Aromatic -CH3 Aromatic -CH2 Aromatic -H -CH2 - [linear] Equation Constant |
-0.5679 0.1780 -0.1145 -0.2573 -0.0073 -0.0954 0.0260 |
-0.5679 0.1780 -0.1145 -0.2573 -0.0073 -0.8589 0.0260 0.8361 |
RESULT |
Biowin 7 (anaerobic linear biodeg probability) |
-0.7658 |
The fragments presents in the molecule are within the applicability domain of the model.
For Biowin 7: a probability less than 0.5 indicates -> Does Not Biodegrade Fast.
Ready biodegradability prediction (YES or NO):
Criteria for the YES or NO prediction: if the Biowin 3 result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks") AND the Biowin 5 probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data. Biowin 5 and 6 also predict ready biodegradability, but for degradation in the OECD 301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.
Table 5.2.1/2 : Amount of CO2 produced (mg)
Time (d) |
Test suspension |
Inoculum blank |
Procedure control |
Toxicity control |
||||
Flask 1 |
Flask 2 |
Flask 3 |
Flask 4 |
Mean |
Flask 5 |
Flask 6 |
||
3 |
11.807 |
9.569 |
10.560 |
5.117 |
7.838 |
19.220 |
12.973 |
|
7 |
22.309 |
24.640 |
21.213 |
24.512 |
22.862 |
49.198 |
50.189 |
|
10 |
19.989 |
17.880 |
17.367 |
18.731 |
18.049 |
35.818 |
24.652 |
|
14 |
23.358 |
19.150 |
16.691 |
18.929 |
17.810 |
29.360 |
26.971 |
|
17 |
6.049 |
12.565 |
13.451 |
8.404 |
10.927 |
16.877 |
19.045 |
|
21 |
18.707 |
22.927 |
15.502 |
13.672 |
14.587 |
17.367 |
21.819 |
|
28 |
41.692 |
36.855 |
44.303 |
34.454 |
39.378 |
44.897 |
54.140 |
Table 5.2.1/3 : Percentage biodegradation during the test (%)
Time (d) | Test suspension | Procedure control | Toxicity control | |||
Flask 1 | Flask 2 | Mean | Difference | Flask 5 | Flask 6 | |
3 | 4.4 | 1.9 | 3.2 | 2.5 | 12.6 | 2.8 |
7 | 3.8 | 3.9 | 3.8 | 0.1 | 41.8 | 18.0 |
10 | 5.9 | 3.7 | 4.8 | 2.2 | 61.5 | 21.6 |
14 | 12.1 | 5.2 | 8.6 | 6.9 | 74.2 | 26.7 |
17 | 6.7 | 7.0 | 6.8 | 0.3 | 80.8 | 31.2 |
21 | 11.2 | 16.2 | 13.7 | 5.0 | 83.9 | 35.2 |
28 | 13.8 | 13.4 | 13.6 | 0.4 | 90.0 | 43.4 |
Table 5.2.1/4 : pH values
Test groups |
Test suspension |
Inoculum blank |
Procedure control |
Toxicity control |
|||
bottle 1 |
bottle 2 |
bottle 3 |
bottle 4 |
bottle 5 |
bottle 6 |
||
At the start of the test |
7.51 |
7.45 |
7.47 |
7.45 |
7.50 |
7.56 |
|
At the end of the test |
7.70 |
7.63 |
7.62 |
7.67 |
7.54 |
7.85 |
Table 5.2.1/2 : Biodegradation values after 28 days
Samples | 28 days biodeg. % | Samples name |
Réf | 99 % | Reference |
Test 23 | 0 | Test 1 |
test 24 |
0 | Test 2 |
Calculations :
The biodegradability exerted after each period was calculated as :
BOD = (mg O2/L uptake by test substance - O2/L uptake by blank) / (mg test substance / L in vessel) = mg O2/mg test substance
The percentage biodegradation of the test items and of the reference item sodium benzoate
was calculated as:
% degradation = ( BOD (mg O2/mg test substance) / ThOD (mg O2/mg test substance ) * 100
Table 5.2.1/3 : Cumulative Biochemical Oxygen Demand (mg O2/L) in test flask during the test period of 28 days
Days | Blank average | ref NaBenzoate | Test 1 Test substance | Test 2 Test substance |
0 | 0 | 0 | 0 | 0 |
1 | 19.475 | 22.2 | 5.6 | 8.3 |
2 | 24.325 | 86.2 | 13.9 | 16.7 |
3 | 26.4 | 120 | 16.7 | 19.5 |
4 | 28.5 | 156 | 22.2 | 25 |
5 | 31.3 | 178 | 19.5 | 22.2 |
6 | 31.3 | 184 | 25 | 25 |
7 | 31.975 | 186 | 25 | 27.8 |
8 | 32.675 | 189 | 22.2 | 25 |
9 | 34.75 | 192 | 16.7 | 19.5 |
10 | 34.075 | 192 | 25 | 30.6 |
11 | 34.75 | 192 | 22.2 | 25 |
12 | 34.75 | 195 | 22.2 | 27.8 |
13 | 34.75 | 195 | 19.5 | 22.2 |
14 | 34.075 | 195 | 25 | 30.6 |
15 | 34.75 | 195 | 19.5 | 25 |
16 | 34.75 | 195 | 19.5 | 25 |
17 | 34.05 | 195 | 25 | 30.6 |
18 | 33.375 | 195 | 25 | 27.8 |
19 | 36.125 | 195 | 16.7 | 22.2 |
20 | 36.125 | 195 | 22.2 | 30.6 |
21 | 36.125 | 195 | 19.5 | 25 |
22 | 36.125 | 195 | 16.7 | 25 |
23 | 36.125 | 197 | 19.5 | 22.2 |
24 | 36.125 | 197 | 19.5 | 22.2 |
25 | 36.125 | 195 | 25 | 30.6 |
26 | 36.125 | 195 | 25 | 30.6 |
27 | 36.125 | 197 | 19.5 | 22.2 |
28 | 36.125 | 195 | 22.2 | 30.6 |
Table 5.2.1/4 : Daily Biodegradation values until 28 days
Days | ref NaBenzoate | Test 1 Test substance |
Test 2 Test substance |
0 | 0 | 0 | 0 |
1 | 2 | -5 | -5 |
2 | 38 | -4 | -4 |
3 | 57 | -3 | -3 |
4 | 78 | -2 | -2 |
5 | 90 | -4 | -4 |
6 | 94 | -3 | -3 |
7 | 94 | -2 | -2 |
8 | 96 | -4 | -4 |
9 | 96 | -7 | -7 |
10 | 97 | -2 | -2 |
11 | 96 | -4 | -5 |
12 | 98 | -4 | -3 |
13 | 98 | -5 | -6 |
14 | 99 | -2 | -2 |
15 | 98 | -5 | -5 |
16 | 98 | -5 | -5 |
17 | 99 | -2 | -2 |
18 | 99 | -3 | -3 |
19 | 97 | -6 | -6 |
20 | 99 | -3 | -1 |
21 | 97 | -5 | -5 |
22 | 97 | -6 | -5 |
23 | 99 | -6 | -6 |
24 | 99 | -6 | -6 |
25 | 97 | -3 | -3 |
26 | 97 | -3 | -3 |
27 | 99 | -6 | -6 |
28 | 97 | -4 | -3 |
Description of key information
OECD Guideline 301B, GLP, key study, validity 1:
13,6 % biodegradation after 28 days
Not readily biodegradable
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
- Type of water:
- freshwater
Additional information
To assess the ready biodegradability of the registered substance, two ready biodegradability tests were performed, following OECD guidelines 301B and 301F.
In the OECD 301B test (GLP), the average percentage biodegradation of the test substance was 13.6% after 28 days of exposure. The test substance was not considered to be readily biodegradable regarding this test.
In the OECD 301F test (non GLP), conducted without an abiotic and toxicity test, the test substance attained 0% mean biodegradation after 28 days. Therefore the test material cannot be considered to be readily biodegradable according to this test.
To support the two experimental studies that were performed on the test substance, a QSAR prediction was performed on this substance. The model used is Biowin v4.10, plug-in from EPISUITE v4.1 from US EPA. This model is recommended by the ECHA guidance document on information requirements and is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised for the applicability domain. The Biowin 3 result is "weeks-months" and the Biowin 5 probability is less than 0.5, therefore the prediction is not readily biodegradable. In conclusion, it's expected that the registered substance is not readily biodegradable.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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