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EC number: 246-430-4 | CAS number: 24720-09-0
- 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: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 1989-09-25 to 1989-12-04
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Non-GLP study; all validity criteria were fulfilled
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Deviations:
- no
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on inoculum:
- On-site sludge sampling was carried out at the following 10 locations in Japan:
Fukogawa city sewage plant (Sapporo-shi Hokkaido); Fukashiba industry sewage plant (Kashima-gun Ibaragi); Nakahama city sewage plant (Osaka-shi Osaka); Ochiai city sewage plant (Shinjuku-ku Tokyo); Kitakami river (Ishinomaki-shi Miyagi); Shinano river (Nishikanbara-gun Niigata); Yoshino river (Tokushima-shi Tokushima); Lake Biwa (Otsu-shi Shiga); Hiroshima bay (Hiroshima-shi Hiroshima); Dookai bay (Kitakyushu-shi Fukuoka)
City sewage: Return sludges from sewage plants were collected.
Rivers, lake and sea: Surface water and surface soil which was in contact with the atmosphere were collected.
Preparation of activated sludge:
- The filtrate of the supernatant of an activated sludge in actual use was mixed with an equal volume of the filtrate of the supernatant of a newly collected sludge and the mixture was cultured at pH 7 ± 1 under the sufficient aeration.
Cultivation:
About 30 minutes after ceasing the aeration to the sludge mixture, supernatant approximately equal to 1/3 of the whole volume was removed. Then an equal volume of 0.1 % synthetic sewage was added to the remaining portion, and the mixture was aerated again. This procedure was repeated once every day. Cultivation was carried out at 25 ± 2 °C. - 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: Each 3 mL of solutions A, B, C and D, which are prescribed in JIS K 0102-1986-21, were made up to 1000 mL with purified water (Takasugi Pharmaceutical Co., Ltd.), and then the pH of this solution was adjusted to 7.0.
- Solubilising agent (type and concentration if used): None
- Test temperature: 25 ± 1 °C
- Aeration of dilution water: No data
- Concentration of activated sludge (suspended solids concentration): 30 mg/L
- Continuous darkness: Yes
- Volume of test solution: 300 mL
TEST SYSTEM
- Culturing apparatus: Closed system oxygen consumption measuring apparatus
- Number of culture flasks/concentration: Test solution (water + test substance) - Single; Test solution (sludge + test substance) - triplicate
- Method used to create aerobic conditions: No data
- Method used to create anaerobic conditions: Not applicable
- Test performed in closed vessels: Yes
- Test performed in open system: No
CONTROL AND BLANK SYSTEM
- Inoculum blank: Yes
- Procedure control: Yes with the reference substance
- Toxicity control: Yes
Measurement and analysis for percentage biodegradation:
- Measurement of biochemical oxygen demand (BOD) with a closed system oxygen consumption measuring apparatus
- Determination of test item by gas chromatography (GC) - Reference substance:
- aniline
- Preliminary study:
- None
- Test performance:
- No data
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- 1
- Sampling time:
- 28 d
- Remarks on result:
- other: Percentage biodegradation by BOD
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- 1
- Sampling time:
- 28 d
- Remarks on result:
- other: Percentage biodegradation of test substance (GC)
- Details on results:
- Appearances of test solutions:
Appearances of test media in cultivation vessels were as follows.
At the initiation of cultivation
- Water + test substance: The test item was not dissolved, and floating on the surface of water.
- Sludge + test substance: The test item was not dissolved, and floating on the surface of water.
At the completion of cultivation
- Water + test substance: Test substance was dissolved in water.
- Sludge + test substance: Test substance was dissolved in test media. Growth of sludge was not observed.
Degree of degradations after 28 days
Degree of degradation by BOD: 2 %, 0 %, 0 % - mean – 1 %
Degree of degradation by GC: 1 %, 2 %, 1 % - mean – 1 %
The test substance is a mixture of cis and trans-configuration isomer. In this study, concentration of test substance cultivated was represented for cis-isomer as 100 mg/L. Degree of biodegradation was calculated only for cis-isomer. The results showed that the test substance was non-biodegradable. - Results with reference substance:
- Degree of degradation of aniline calculated by BOD value was 63 % and 75 % at the 7th and 14th day, respectively. It is concluded that this test condition is valid.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test substance was not biodegraded by microorganisms under the present test conditions.
- Executive summary:
The ready biodegradability of the test item has been investigated according to the OECD Guideline No. 301C.
A measured volume of inoculated mineral medium (suspended sludge concentration at 30 mg/L), containing a known concentration of test substance (100 mg/L) is stirred in a closed flask at a constant temperature (25 ± 1°C) for up to 28 days. Percentage biodegradation by BOD and determination of test item by gas chromatography (GC) were measured.
Aniline was used as a reference compound. Degree of degradation of aniline calculated by BOD value was 63 % and 75 % at the 7th and 14th day, respectively. It is concluded that this test condition is valid.
Degree of degradation by BOD: 2 %, 0 %, 0 % - mean: 1 %
Degree of degradation by GC: 1 %, 2 %, 1 % - mean: 1 %
The test substance was not biodegraded by microorganisms under the present test conditions.
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
CC=CC(=O)C1C(C)=CCCC1(C)C
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
- 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) = Does Not Biodegrade Fast
Biowin 2 (non-linear model prediction) = Does Not Biodegrade 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:
- other: 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 addition, Biowin 6 also predict not readily biodegradable, corresponding to a degradation in the OECD 301C test. In conclusion, it's expected that the substance is not readily biodegradable.
Referenceopen allclose all
Percentage biodegradation
Percentage biodegradations after 28 days were as follows.
Table 5.2.1/1: Percentage biodegradation
Method |
(Sludge + test item) |
||||
Bottle-4 |
Bottle-5 |
Bottle-6 |
Mean |
||
Percentage biodegradation by BOD |
% |
2 |
0 |
0 |
1 |
Percentage biodegradation of test item (GC) |
% |
1 |
2 |
1 |
1 |
Table 5.2.1/2: Calculation table for percentage biodegradation by BOD
Bottle No. |
TOD (mg) |
7th day |
14th day |
28th day |
Mean Deg. (%) |
|||
BOD (mg) |
Deg. (%) |
BOD (mg) |
Deg. (%) |
BOD (mg) |
Deg. (%) |
|||
1 |
90.3 |
57.2 |
63 |
70.0 |
75 |
75.0 |
78 |
1 |
2 |
- |
0.1 |
- |
2.6 |
- |
4.7 |
- |
|
3 |
97.5 |
3.3 |
3 |
5.1 |
3 |
7.0 |
2 |
|
4 |
97.5 |
1.4 |
1 |
3.3 |
1 |
4.6 |
0 |
|
5 |
97.5 |
0.3 |
0 |
1.1 |
0 |
1.2 |
0 |
|
6 |
97.5 |
0 |
- |
0 |
- |
0 |
- |
Deg. : Percentage biodegradation
Bottle No. 1: Sludge + aniline
Bottle No. 6: Water + test substance
Bottle No. 2: Control blank
Bottle No. 3, 4, 5: Sludge + test substance
Table 5.2.1/1: Biowin 1 result
TYPE |
NUM |
Biowin 1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag MolWt Const |
1 1 * * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Molecular weight parameter Equation constant |
-0.1839 0.0068 |
-0.1839 0.0068 -0.0916 0.7475 |
RESULT |
Biowin 1 (linear biodeg probability) |
0.4789 |
The fragments present in the molecule are within the applicability domain of the model.
Table 5.2.1/2: Biowin 2 result
TYPE |
NUM |
Biowin 2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag MolWt |
1 1 * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Molecular weight parameter |
-1.7232 -0.4530 |
-1.7232 -0.4530 -2.7307 |
RESULT |
Biowin 2 (non-linear biodeg probability) |
0.1303 |
The fragments present in the molecule are within the applicability domain of the model.
For Biowin 1 and 2: a probability less than 0.5 indicates -> Does Not Biodegrade Fast
Table 5.2.1/3: Biowin 3 result
TYPE |
NUM |
Biowin 3 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag MolWt Const |
1 1 * * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Molecular weight parameter Equation constant |
-0.2121 -0.0225 |
-0.2121 -0.0225 -0.4250 3.1992 |
RESULT |
Biowin 3 (survey model – ultimate biodeg) |
2.5396 |
The fragments present in the molecule are within the applicability domain of the model.
Table 5.2.1/4: Biowin 4 result
TYPE |
NUM |
Biowin 4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag Frag MolWt Const |
1 1 * * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Molecular weight parameter Equation constant |
-0.1534 -0.0222 |
-0.1534 -0.0222 -0.2774 3.8477 |
RESULT |
Biowin 4 (survey model – primary biodeg) |
3.3946 |
The fragments present in the molecule are within the applicability domain of the model.
For Biowin 3 and 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 4 2 1 3 * * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Methyl [-CH3] -CH2- [cyclic] -CH- [cyclic] -C=CH [alkenyl hydrogen] Molecular weight parameter Equation constant |
0.0676 0.1177 0.0004 0.0197 0.0124 0.0062 |
0.0676 0.1177 0.0016 0.0395 0.0124 0.0186 -0.5721 0.7121 |
RESULT |
Biowin 5 (MITI linear biodeg probability) |
0.3975 |
The fragments presents in the molecule are within the applicability domain of the model.
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 4 2 1 3 * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Methyl [-CH3] -CH2- [cyclic] -CH- [cyclic] -C=CH [alkenyl hydrogen] Molecular weight parameter |
0.3990 0.8334 0.0194 0.2365 -0.1295 0.0285 |
0.3990 0.8334 0.0777 0.4730 -0.1295 0.0855 -5.5516 |
RESULT |
Biowin 6 (MITI non-linear biodeg probability) |
0.2164 |
The fragments presents in the molecule are within the applicability domain of the model.
For Biowin 5 and 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 Const |
1 1 4 2 1 3 * |
Carbon with 4 single bonds & no hydrogens Ketone [-C-C(=O)-C-] Methyl [-CH3] -CH2- [cyclic] -CH- [cyclic] -C=CH [alkenyl hydrogen] Equation Constant |
-0.3342 -0.3919 -0.0796 -0.1200 0.0395 -0.0735 |
-0.3342 -0.3919 -0.3183 -0.2400 0.0395 -0.2206 0.8361 |
RESULT |
Biowin 7 (anaerobic linear biodeg probability) |
-0.6295 |
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 Institue Japan (CERIJ) database.
Description of key information
Weight of evidence approach using experimental study (OECD Guideline 301C, no-GLP) and QSAR data (Biowin v4.10):
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, a weight of evidence approach was used using one experimental study and one QSAR data.
The experimental study was performed on the registered substance according to OECD Guideline 301C but without GLP statement. The test substance (100 mg/L) was exposed to activated sewage sludge microorganisms with culture medium in closed bottles at a constant temperature (25 +/- 1°C) for 7, 14 and 28 days. The degradation of the test substance was assessed by the measurement of the percentage biodegradation by BOD and the determination of the test substance by Gas Chromatography (GC). According to the results of this study, the test substance was not biodegraded by microorganisms: mean of 1% biodegradation were observed after 28 days using the two methods of determination (BOD and GC). Thus, the test substance should be regarded as not readily biodegradable according to this test.
The QSAR data was performed on the registered 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 towards 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 addition, Biowin 6 also predict not readily biodegradable, corresponding to a degradation in the OECD 301C test. In conclusion, it's expected that the substance is not readily biodegradable.
In conclusion, as we obtained the same results between the experimental and the predicted data, we can conclude, based on this weight of evidence approach, that the registered substance is not readily biodegradable.
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