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EC number: 204-010-8 | CAS number: 112-85-6
- 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: inherent biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- not available
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documentated publication
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 302 C (Inherent Biodegradability: Modified MITI Test (II))
- Deviations:
- yes
- Remarks:
- MITI-I and MITI-II combi study: test was performed in 100 mg/L of test substance and 30 mg/L of inoculum.
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: mixture of activated sludge from STP with surface water from rivers, lakes and marine, as well as marine sediment at shores.
- Details on inoculum:
- - Source of inoculum/activated sludge (location, sampling depth): location: 10 sites (4 sewage plants, 3 rivers, 1 lake and 2 bays) around Japan, sampling depth: return sludge in sewage plants, surface water and surface soil of foreshore
- Laboratory culture: Thirty minutes after stopping of aeration, discard about one third of the whole volume of supernatant and add an equal volume of a mineral medium (pH adapted to 7.0 ± 1.0 with NaOH) containing 5% each of glucose, peptone and pottasium orthophosphate, to the settled material and re-commence aeration. This procedure was repeated once per day.
- Temperature: 25 ± 2 °C
- Storage conditions: observed apperance and general condition of sludge, determined sediments, pH, temperature and dissolved oxygen and observed with a light microscope, if it is normal.
- Preparation of inoculum for exposure: Sample No.1: Test substance in water at 100 mg/L, No.2 - 4: test substance in meneral medium at 100 mg/L, No.5: aniline in mineral medium at 100 mg/L, No.6: mineral medium only
- Storage length: started to use: 15 -07-1997
- Concentration of sludge: 4300 mg/L
- Water filtered: no - Duration of test (contact time):
- 28 d
- Initial conc.:
- 100 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- TEST CONDITIONS
- Suspended solids concentration: 100 mg/L - Parameter:
- % degradation (test mat. analysis)
- Value:
- 73
- Sampling time:
- 28 d
- Details on results:
- See table 1 and 2.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- inherently biodegradable
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 12 Aug - 09 Sep 1997
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP - Guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Circular on Test Methods of New Chemical Substances (Japan), Biodegradation test
- Deviations:
- no
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: mixture of activated sludge from STP with surface water from river, lake and marine, as well as marine sediment at shore.
- Details on inoculum:
- - Source of inoculum/activated sludge (location, sampling depth): location: 10 sites (4 sewage plants, 3 rivers, 1 lake and 2 bays) around Japan, sampling depth: return sludge in sewage plants, surface water and surface soil of foreshore
- Laboratory culture: Thirty minutes after stopping of aeration, discard about one third of the whole volume of supernatant and add an equal volume of a mineral medium (pH adapted to 7.0 ± 1.0 with NaOH) containing 5% each of glucose, peptone and pottasium orthophosphate, to the settled material and re-commence aeration. This procedure was repeated once per day.
- Temperature: 25 ± 2 °C
- Storage conditions: observed apperance and general condition of sludge, determined sediments, pH, temperature and dissolved oxygen and observed with a light microscope, if it is normal.
- Preparation of inoculum for exposure: Sample No.1: Test substance in water at 100 mg/L, No.2 - 4: test substance in meneral medium at 100 mg/L, No.5: aniline in mineral medium at 100 mg/L, No.6: mineral medium only
- Storage length: started to use: 15 -07-1997
- Concentration of sludge: 4300 mg/L
- Water filtered: no - 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: Recomended medium in the guideline
- Test temperature: 25 ± 1 °C
- Suspended solids concentration: 30 mg/L
- Continuous darkness: no data
TEST SYSTEM
- Culturing apparatus: closed oxgen consuption measuring machine with 300 mL culture bottle
- Number of culture flasks/concentration: 3
- Method used to create aerobic conditions: 1 (water + test substance), 3 (sludge + test sub.), 1 (sludge + reference sub.), 1 (sludge)
- Measuring equipment: Coulometer
- Details of trap for CO2 and volatile organics if used: soda lime
SAMPLING
- Sampling frequency: Continuously
- Sterility check if applicable: no
- Sample storage before analysis: no data
CONTROL AND BLANK SYSTEM
- Inoculum blank: Yes
STATISTICAL METHODS: not described - Reference substance:
- aniline
- Parameter:
- % degradation (O2 consumption)
- Value:
- 52
- Sampling time:
- 28 d
- Remarks on result:
- other: BOD/ThOD
- Details on results:
- See table 1 and 2.
- Results with reference substance:
- BOD of aniline in the above used test system reached 61.4 mg and 70.5 mg after 7 days and 14 days.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- other: under test conditions not ready biodegradable
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Study period:
- no data
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test)
- GLP compliance:
- no
- Remarks:
- GLP not yet implemented in lab at time of study, however study adhered to GLP comparable quality conditions.
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Garden-mould suspension, not acclimated
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Henkel garden center- Concentration of sludge:
- Initial cell/biomass concentration: 10^3-10^5 cells/ml
- Preparation of inoculum for exposure: 100 g garden mould was added to 1 L tap water and shaken
- Water filtered: yes
- Type and size of filter used, if any: coarse paper, the first 200 ml was discarded - Duration of test (contact time):
- 30 d
- Initial conc.:
- 2 other: mg/l
- Based on:
- other: active material
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST CONDITIONS
- Composition of medium: deionized water
- pH: 7-8
- Aeration of dilution water: Aerated using compressed air delivered through a sintered glass tube until saturation was reached.
TEST SYSTEM
- Culturing apparatus:
- Number of culture flasks/concentration: 2
SAMPLING
- Sampling frequency: 5, 15, and 30 days
CONTROL AND BLANK SYSTEM
- Inoculum blank: yes
STATISTICAL METHODS: average - Reference substance:
- other: dodecylsulfate
- Parameter:
- % degradation (O2 consumption)
- Value:
- 40
- Sampling time:
- 5 d
- Parameter:
- % degradation (O2 consumption)
- Value:
- 77
- Sampling time:
- 15 d
- Parameter:
- % degradation (O2 consumption)
- Value:
- 90
- Sampling time:
- 30 d
- Results with reference substance:
- 57% degraded in 5 days, 89% degraded in 30 days
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The best-fit biodegradation curve shows progression from 10% to 60%BOD/ThOD in less than 10 days, therefore the substance meets the OECD "readily biodegradable" criterion.
- 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. SOFTWARE
EPI Suite v4.11 (June 2017) Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11 (June 2017). US EPA, United States Environmental Protection Agency, Washington, DC, USA.
2. MODEL (incl. version number)
BioWin v4.11
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 "Overall remarks, attachments".
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 and grouping of chemicals (R.6)
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI Suite v4.11 (June 2017)
- Model(s) used: BioWin v4.11
Full reference and details of the used formulas can be found in:
1. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65.
2. Boethling, R.S., Lynch. D.G., Thom, G.C. 2003. Predicting Ready Biodegradability of Premanufacture Notice Chemicals. Environ. Toxicol. Chem. 22:837-844.
3. Boethling, R.S., Lynch, D.G., Jaworska, J.S., Tunkel, J.L., Thom, G.C., Webb, S. 2004. Using BIOWIN, Bayes, and batteries to predict ready biodegradability. Environ. Toxicol. Chem. 23:911-920.
4. Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A.1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data.Environ. Toxicol. Chem.11:593-603.
5. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test.Environ. Toxicol. Chem.19:2478-2485.
6. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential.Environ. Toxicol. Chem.26:1785-1792.
7. US EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA.
- 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:
- readily biodegradable based on QSAR/QSPR prediction
Referenceopen allclose all
Table 1. Analytical result
|
water + test sub. |
sludge + test sub. |
Theoretical Amount |
|||
sample No. 1 |
sample No. 2 |
sample No. 3 |
sample No. 4 |
|||
BOD (*1) |
mg |
0.3 |
43.0 |
50.3 |
47.1 |
90.3 |
GC |
mg |
28.4 |
9.5 |
5.6 |
7.6 |
30 |
% (*2) |
95 |
32 |
19 |
25 |
- |
(*1) (sludge + test sub.) was calculated by substracting blank values.
(*2) Residue and production percentage was calculated as followed.
Residue percentage = Residue amount (mg) / Theoretical amount (mg) x 100
Table 2. Degradation rate
|
sample No. 2 |
sample No. 3 |
sample No. 4 |
Mean |
BOD |
48 |
56 |
52 |
52 |
GC |
67 |
80 |
73 |
73 |
Table 1. Result of BOD (mg) measurement
|
7thday |
14thday |
21stday |
28thday |
Sludge + Test substance (Sample No.2) |
12.4 |
22.5 |
34.1 |
48.3 |
Sludge + Test substance (Sample No.3) |
18.9 |
32.3 |
45.0 |
55.6 |
Sludge + Test substance (Sample No.4) |
18.0 |
29.7 |
39.0 |
52.4 |
Water + Test substance (Samle No. 1) |
0.1 |
0.1 |
0.3 |
0.3 |
Control blank (Sample No.6) |
2.3 |
3.8 |
5.2 |
5.3 |
Sludge + Aniline (Sample No.5) |
61.4 |
70.5 |
71.8 |
72.0 |
Table 2. Degradation rate
|
sample No. 2 |
sample No. 3 |
sample No. 4 |
Mean |
BOD |
48 |
56 |
52 |
52 |
For detailed information on the results please refer to the attached report.
Description of key information
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
Ready and inherent biodegradability of docosanoic acid were tested by the Japanese Ministry for the Environment (MOE, 1997). At a concentration of 100 mg/L the substance biodegrades up to 48 - 56% (BOD) after 28 days according to OECD 301C. In the inherent biodegradation test according to OECD 302C, the substance was tested at a concentration of 30 mg/L resulting in biodegradation rates of docosanoic acid up to 79 - 96% (BOD) after 28 days. The substance docosanoic acid barely failed the ready biodegradability test and was classified according to the OECD SIDS (2001) as inherently biodegradable.
A ready biodegradation of the unsaturated fatty acids with a chain length of was shown in a biodegradation test similar to OECD 301 D (Closed Bottle Test). The read across substance docosenoic acid (C22:1, CAS 112-86-7) was inoculated with suspended garden mould for 30 days. Based on the oxygen consumption biodegradation on day 5, 15 and 30 was 40 %, 77 % and 90 %, respectively. Therefore, it can be concluded, that docosenoic acid, a C22:1 fatty acid, is readily biodegradable.
Results of the QSAR model BIOWIN v.4.11 (EPI Suite, 2022) predict ready biodegradability for docosanoic acid. This method is based on the application of Bayesian analysis to readily biodegradation data for chemicals, derived collectively from all six OECD301 test methods plus OECD310.
The available data indicate that individual degradation rates reported may vary to some degree for fatty acids even of same carbon chain length depending on their physico chemical properties (e. g. water solubility), bioavailability and test methods employed. The failure of some fatty acids to pass the stringent ready biodegradation tests due to the low water solubility and reduced bioavailability was already recognized and discussed within the framework of the SIDS Initial Assessment Report for the Category “Aliphatic Acids” (OECD, 2009) and judged not to preclude a ready biodegradability of the fatty acids.
According to the ECHAs Guidance on information requirements and chemical safety assessment (Chapter R.7b: Endpoint specific guidance, 2008) consistent positive test results should generally supersede negative results.
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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