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EC number: 931-299-4 | CAS number: 68390-94-3
- 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 test, other
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
2. MODEL (incl. version number)
BIOWIN (v4.10)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables". - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation based on BIOWIN v4.10, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- Details on inoculum:
- BIOWIN v4.10 calculation
- Remarks on result:
- other: please see "any other information on results incl. tables
- Interpretation of results:
- not readily biodegradable
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 12 Feb - 22 Apr 1991
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, non-adapted
- Details on inoculum:
- - Source of activated sludge: Municipal sewage treatment plant, Schijndel, The Netherlands
- Preparation of inoculum: the activated sludge was aerated for 4 h and then left to settle at least for 1/2 h. The supernatant was decanted to provide a sufficiently large volume for a 1% inoculum for each test flask - Duration of test (contact time):
- 28 d
- Initial conc.:
- 10 mg/L
- Based on:
- test mat.
- Initial conc.:
- 20 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS
- Composition of medium: according to guideline
- Test temperature: 20 +/- 2 °C
- pH: pH blank, 6.2; pH positive control, 5.8; pH test substance 10 mg/L, 5.9; pH test substance 20 mg/L, 6.0
TEST SYSTEM
- Culturing apparatus: 3L bottles all-glass brown filled with 3L test medium
- Number of culture flasks/concentration: 1
- Method used to create aerobic conditions: aeration with CO2 free air at a constant rate of 50-100 mL air/min
- Details of trap for CO2: after the aeration period, three CO2-absorber bottles were filled with 80 ml 0.025 N Ba(OH)2 and connected in series to the exit air line of each test bottle.
SAMPLING
- Sampling frequency: 2, 5, 7, 9, 12, 16, 21, and 28 d
- Sampling method: CO2 was determined by titration of remaining Ba(OH)2 with 0.05 N standardized HCL, after barium carbonate precipitation (from
the reaction between CO2 and barium hydroxide). Periodically the C02—absorber nearest to the test bottle was removed for titration. The remaining
two absorbers were each moved one position in the direction of the test bottle, and a new absorber filled with 80 ml of 0025 N Ba(OH)2 (normalized
the same day) was placed at the far end of the series. All samples were stored at —20°C for three months after delivery of this report.
CONTROL AND BLANK SYSTEM
- Inoculum blank: 1
- Reference compound: 1
- Reference substance:
- acetic acid, sodium salt
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 2.1
- Sampling time:
- 12 d
- Remarks on result:
- other: 10 mg/L test substance
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 15
- Sampling time:
- 28 d
- Remarks on result:
- other: 10 mg/L test substance
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 0.7
- Sampling time:
- 12 d
- Remarks on result:
- other: 20 mg/L test substance
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 5.5
- Sampling time:
- 28 d
- Remarks on result:
- other: 20 mg/L test substance
- Results with reference substance:
- 103.5% sodium acetate was biodegraded by day 28. Degradation of >60% of reference substance was reached within 14 days.
- Validity criteria fulfilled:
- yes
- Remarks:
- The control substance was biodegraded by more than 60% within 12 days and 104% degradation was reached at the end of the test period (Table 1). The total CO2 released in the blank reached a total value of 7 mg CO2.
- Interpretation of results:
- under test conditions no biodegradation observed
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 24 Oct - 23 Dec 1975
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Deviations:
- yes
- Remarks:
- test duration was 2 weeks
- GLP compliance:
- not specified
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- mixture of sewage, soil and natural water
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): not given
- Concentration of sludge: 30 ppm - Duration of test (contact time):
- 14 d
- Initial conc.:
- 100 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST SYSTEM
- Measuring equipment: Coulometer
CONTROL AND BLANK SYSTEM
- Inoculum blank: Yes
STATISTICAL METHODS: not stated - Parameter:
- % degradation (O2 consumption)
- Value:
- 1.1
- Sampling time:
- 14 d
- Details on results:
- not biodegradable
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- 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, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The substance may not be fully compliant with the applicability domain of the model. However, this calculation is used in a weight of evidence approach, in accordance to the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2. It is adequately documented and justified. For more detail see field `overall remarks, attachments´.
- Justification for type of information:
- 1. SOFTWARE
Vega version 1.1.4
2. MODEL (incl. version number)
Ready Biodegradability Model (IRFMN) v. 1.0.9
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: Vega v1.1.4
- Model(s) used: Ready biodegradability model (version 1.0.9)
Full reference and details of the used formulas can be found in:
Meylan W.M., Howard P.H., Boethling R.S. et al. Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. 1999, Environ. Toxicol. Chem. 18(4): 664-672
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Remarks on result:
- other: The prediction for the main substance components is Possible Readily Biodegradable
- Interpretation of results:
- other: Possible Readily Biodegradable
Referenceopen allclose all
Table: Ready biodegradability prediction using BIOWIN v4.1 for the mains substance components
Biowin1 (Linear Model Prediction) |
1.1024 |
Biodegrades fast |
Biowin2 (Non-Linear Model Prediction): |
0.9749 |
Biodegrades fast |
Biowin3 (Ultimate Biodegradation Timeframe): |
2.3769 |
Weeks-Months |
Biowin4 (Primary Biodegradation Timeframe): |
3.9411 |
Days |
Biowin5 (MITI Linear Model Prediction) : |
0.8821 |
Biodegrades fast |
Biowin6 (MITI Non-Linear Model Prediction): |
0.8604 |
Biodegrades fast |
Biowin7 (Anaerobic Model Prediction): |
-0.2106 |
Does not biodegrade fast |
Ready Biodegradability Prediction: |
|
no |
Table 1. Percentage biodegradation of the test substance.
Day |
% Degradation Sodium Acetate |
% Degradation Test Material (10 mg/L) |
% Degradation Test Material (20 mg/L) |
2 |
9 |
0 |
0 |
5 |
28.6 |
0 |
0 |
7 |
40.0 |
1.1 |
0.3 |
9 |
46.6 |
1.1 |
0.3 |
12 |
62.5 |
2.1 |
0.7 |
16 |
85.8 |
3.6 |
2.5 |
21 |
92.6 |
6.7 |
3.6 |
28 |
97.4 |
10.4 |
4.1 |
28 |
99.6 |
12.7 |
4.7 |
28 |
103.5* |
15 |
5.5 |
* Due to acidification
Table 1. Result of biodegradability
|
Degradability |
Result by O2 consumption |
1.1% |
Result by HPLC |
(-) % |
For detailed information on the results please refer to the attached report.
Description of key information
The substance is not readily biodegradable
Key value for chemical safety assessment
Additional information
Two studies investigating the ready biodegradability of the substance are available. The key study was performed according to OECD Guideline 301B (GLP). The CO2 evolution of the activated sludge (non-adapted) was recorded for 28 days at test material concentrations of 10 and 20 mg/L respectively. On day 28 biodegradation rates of 15% and 5.5% were determined at 10 and 20 mg/L respectively. A supporting study carried out according to the OECD guideline 301C obtained a similar result. A mixture of sewage, soil and natural water was used as inoculum. The test substance concentration was 100 mg/L. After a contact period of 14 days a biodegradation rate of 1.1% was determined. Further information was generated by QSAR predictions for the main substance components.
Based on the available experimental results the substance is not readily biodegradable according to OECD criteria. The calculation performed with the Ready biodegradability model (version 1.0.9, Vega v1.1.4 sofware) predicted a possible ready biodegradability for the substance. However the similarity to substances in the model training set was only moderate and the accuracy of prediction for similar molecules was not optimal. The data generated were considered sufficiently acceptable for a weight of evidence approach. An additional calculation was performed using BIOWIN v4.10 (EPI suite v 4.11). The independent models Biowin2 (Non-Linear Model Prediction), Biowin5 (MITI Linear Model Prediction) Biowin6 (MITI Non-Linear Model Prediction) predict a fast biodegradation of the main substance components. Whereas Biowin4 (Primary Biodegradation Timeframe) predicts a degradation within days and Biowin3 (Ultimate Biodegradation Timeframe) a degradation within weeks to months. The models predict a possible degradation of the substance and indicate non-persistency of the main substance components.
The substance is not readily biodegradable based on the data gathered in a weight of evidence approach.
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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