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EC number: 227-645-2 | CAS number: 5921-65-3
- 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: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
BioWin
2. MODEL (incl. version number)
BIOWINv4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
c1(CCCCCCCCC)nc(N)nc(N)n1
CAS 5921-65-3
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
BIOWIN is an general accepted QSAR model for predicting biodegrabability.
For further information refer to the attached document.
5. APPLICABILITY DOMAIN
For further information refer to the attached document.
6. ADEQUACY OF THE RESULT
The prediction is in line with the expected property, based on information from structural similar substances. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R6
- Principles of method if other than guideline:
- EPI BIOWIN (Version 4.10) is a generally accepted QSAR tool for prediction of biodegradability
- GLP compliance:
- no
- Specific details on test material used for the study:
- Smiles: c1(CCCCCCCCC)nc(N)nc(N)n1
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- Biowin (Version 4.10) predicted that Caprinoguanamin is not readily biodegradable.
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Biowin (Version 4.10) predicts that Caprinoguanamine is not readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- March - June 1990
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Data are included in the data set to sustain the reliability of QSAR prediction.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 E (Ready biodegradability: Modified OECD Screening Test)
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- sewage, domestic (adaptation not specified)
- Details on inoculum:
- - A sample of activated sludge was taken from an oxidation ditch situated on the premises of TNO, Eelft, The Netherlands. The oxidation ditch is used to treat domestic sewage.
- For the test with complete medium the original sludge was homogenized and contained about 3.2 g of solid subsatnce of litre. 250 ml of the mixed sludge was used to inculate 25 l of medium (yielding about 30 mg of solid substance * L^-1)
- For the test with nitrogen-free medium the sludge was centrifuges (30 min, gmax = 4500) and the solid residue resuspended in water. This suspension contained about 4.3 g of solid substance per litre; 69 ml were used to inoculate 10l of nitrogen-free medium. - Duration of test (contact time):
- 42 d
- Initial conc.:
- 26 mg/L
- Based on:
- test mat.
- Initial conc.:
- 52 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- DOC removal
- Details on study design:
- TEST CONDITIONS
- Stock solution: 1.0131 g Acetoguanamine in 100 ml water
- Composition of medium: contained buffer with higher capacity than that described in the OECD Guideline (see table 1)
- Test temperature: 20 +/- 2 °C
- Test concentrations: 26 and 52 mg/l were prepared in dublicate
1st test:
- Duplicate blank control flasks without test substance were included in the test
- Determination of inoculum activity: toxicity control flask containing 100 mg/l sodium acetate (=30 mg DOC per litre) only
- Determination of toxic effects of the test substance: toxicity control flask containing 100 mg/l sodium acetate and test substance
- Determination of loss of test substance other than by biodegration: sterile control, flask contained uninoculated medium, 26 mg test substance and 5 ml 1 % mercury(II)chloride solution.
2nd test:
- about 26 mg/l Acetoguanamine and 100 mg/l sodium acetate was prepared in nitrogen-free medium (in duplicate) and in complete sodium (in singlefold); controls without test substance were included as in the first test
TEST SYSTEM
- Culturing apparatus: two-litre flasks (Schott Duran) filled with 1 l of inoculated medium
SAMPLING
- Sampling frequency: After 0, 7, 14, 21 (nitrogen limitation: 22), 28, 42 days
- Sampling method: collection of 12 ml from each flask - Reference substance:
- other: sodium acetate
- Preliminary study:
- No preliminary study.
- Test performance:
- Not applicable
- Parameter:
- % degradation (DOC removal)
- Sampling time:
- 28 h
- Remarks on result:
- other: no biodegradation found
- Results with reference substance:
- The results show that, as expected, acetate was completely degraded (99 %) within one week. There were no effects of the test substance on the acetate degradation.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- Acetoguanamine is not regarded as readily biodegradable.
- Executive summary:
The biodegradability of the test substance Acetoguanamine was determined by the methode laid down in the OECD Guideline 301E; "Ready Biodegradability: Modified OECD Screening Test."
In a first test Acetoguanamine was tested in two concentrations: 26 mg/l and 52 mg/l. A control test with sodium acetate showed that the activity of the inoculum was sufficient and that there was no inhibition of the inoculum activity by Acetoguanamine.
In a second test 26 mg/l of Acetoguanamine and 100 mg/l sodium acetate was prepared in nitrogen-free medium (in dublicate) and in complete sodium (in singlefold); controls without test substance were included as in the first test. This test showed, that the degradation of Acetoguanamine was not increased in the absence of nitrogen.
No biodegradability was found in the test bottles with Acetoguanamine. Because of this Acetoguanamine is not regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Data are included in the data set to sustain the reliability of QSAR prediction.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 E (Ready biodegradability: Modified OECD Screening Test)
- Deviations:
- yes
- Remarks:
- buffer of higher capacity used
- GLP compliance:
- yes
- Inoculum or test system:
- sewage, domestic, adapted
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): oxidation ditch at TNO,Delft, NL
- Pretreatment: 24- hr Aeration to remove free carbon present
- Concentration of sludge: 30 mg dry substance / L - Duration of test (contact time):
- 28 d
- Initial conc.:
- 17.1 mg/L
- Based on:
- test mat.
- Initial conc.:
- 34.2 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- DOC removal
- Details on study design:
- TEST CONDITIONS
- Composition of medium: 10 mL solution a and 1 mL of solutions b to f to water + 485 mL water (compositions of solutions: see "Any other information on materials..."
- Additional substrate:
- Solubilising agent (type and concentration if used):
- Test temperature: 20 ± 2 °C
- pH:
- pH adjusted: yes/no
- CEC (meq/100 g):
- Aeration of dilution water:
- Suspended solids concentration: 30 mg/L (dry substance)
- Continuous darkness: yes/no
- Other:
TEST SYSTEM
- Culturing apparatus: Braun Pilot Shake orbital shaking machine
- Number of culture flasks/concentration: 3 per concentration (4 for blank)
- Method used to create aerobic conditions:
- Method used to create anaerobic conditions:
- Measuring equipment:O.C. International 524 C TOC-Analyser
- Test performed in closed vessels due to significant volatility of test substance:
- Test performed in open system:
- Details of trap for CO2 and volatile organics if used:
- Other:
SAMPLING
- Sampling frequency: at week 0, 1, 2, 3, and 4
- Sampling method: collection of 20 mL sample, centrifugation, and TOC analysis after persulphate oxidation
- Sterility check if applicable: no, stable in aqeuos solution
- Sample storage before analysis: no
- Other:
CONTROL AND BLANK SYSTEM
- Inoculum blank: 4 flasks without test substance were included in test
- Abiotic sterile control:
- Toxicity control: control flask containing 100 mg/L sodium acetate only, or sodium acetate plus test substance were included (triplicate per concentration)
- Other:
STATISTICAL METHODS: - Reference substance:
- acetic acid, sodium salt
- Key result
- Parameter:
- % degradation (DOC removal)
- Value:
- 14
- Sampling time:
- 28 d
- Remarks on result:
- other: Benzoguanamine 17.1 mg/L
- Key result
- Parameter:
- % degradation (DOC removal)
- Value:
- 0
- Sampling time:
- 28 d
- Remarks on result:
- other: Benzoguanamine 34.2 mg/L
- Results with reference substance:
- The results show a complete degradation of the reference substance within one week, as expected of an inoculum with sufficient activity. This degradation was not influenced by the presence of the test substance in the medium.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- This substance is regarded as not readily biodegradable under test conditions.
- Executive summary:
The substance was tested in two concentrations: 17 mg/L and 34 mg/L. A control test with sodium acetate showed the activity of the inoculum was sufficient, and that there was no inhibition of the inoculum activity by the test item.
No significant biodegradation within 28 days was found in the test bottles with test substance; thus it is regarded as not readily biodegradable under the given test conditions.
Referenceopen allclose all
Biowin (Version 4.10) predicts that Caprinoguanamine is not readily biodegradable.
Table 2: Results of the first biodegradation test.
Concentration of Acetoguanamine [mg/L] |
Concentration of Na acetate [mg/L] |
mg of DOC ∙ L-1determined after … days |
|||||
0 |
7 |
14 |
21 |
28 |
42 |
||
0 A |
|
0.6 |
1.4 |
1.0 |
1.0 |
1.0 |
1.1 |
0 B |
|
0.5 |
1.2 |
1.0 |
0.9 |
0.9 |
0.9 |
26 A |
|
3.3 |
- |
- |
- |
3.5 |
3.4 |
26 B |
|
3.4 |
- |
- |
- |
3.6 |
3.5 |
52 A |
|
6.7 |
- |
- |
- |
7.1 |
7.3 |
52 B |
|
6.9 |
- |
- |
- |
7.1 |
7.2 |
0 A |
100 |
29.4 |
0.4 |
0.3 |
0.0 |
0.1 |
- |
0 B |
100 |
28.8 |
0.4 |
0.0 |
0.1 |
0.1 |
- |
26 A |
100 |
33.2 |
4.8 |
3.2 |
3.5 |
3.5 |
- |
26 B |
100 |
33.6 |
4.3 |
3.3 |
3.5 |
3.5 |
- |
52 A |
100 |
36.2 |
8.6 |
6.4 |
7.7 |
7.1 |
- |
52 B |
100 |
34.0 |
8.1 |
6.3 |
7.3 |
7.3 |
- |
26 St |
|
2.6 |
1.8 |
2.0 |
2.4 |
2.5 |
2.5 |
St: Sterile control
- : not determined
Table 3: Results of the second biodegradation test.
Concentration of Acetoguanamine [mg/L] |
Concentration of Na acetate [mg/L] |
mg of DOC ∙ L-1determined after … days |
|||||
0 |
7 |
14 |
22 |
28 |
42 |
||
0 A |
|
0.2 |
3.1 |
0.7 |
0.6 |
1.6 |
1.1 |
0 B |
|
0.1 |
1.6 |
0.6 |
0.8 |
1.6 |
1.1 |
0 A* |
100 |
24.8 |
-1.4 |
0.0 |
-0.1 |
-0.2 |
0.0 |
0 B* |
100 |
25.1 |
-1.5 |
-0.1 |
-0.1 |
-0.3 |
0.0 |
26 * |
100 |
31.7 |
6.4 |
5.5 |
6.1 |
5.0 |
5.3 |
0 N 1) |
|
0.3 |
1.1 |
0.2 |
0.4 |
1.4 |
0.9 |
0 N ** |
100 |
28.7 |
14.1 |
0.4 |
0.1 |
-0.2 |
0.1 |
26 N A ** |
100 |
27.8 |
19.7 |
5.2 |
5.7 |
5.0 |
5.0 |
26 N B** |
100 |
29.2 |
4.3 |
5.8 |
5.6 |
5.1 |
4.8 |
*: The data for the flask have been corrected for the DOC in the inoculum controls (flasks 0A and 0B).
**: The data for the flasks have been corrected for the DOC in the nitrogen limited inoculum control (flask 0N).
1): N = Nitrogen limited.
Description of key information
Biowin (Version 4.10) predicts that Caprinoguanamine is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
The generally accepted QSAR model BIOWIN for predicting biodegradability of Caprinoguanamine was used. Biowin (Version 4.10) predicts that Caprinoguanamine is not readily biodegradable.
This prediction is in line with the expected property, based on information from structural similar substances.
Data from biodegradability studies on the triazine derivates Acetoguanamine and Benzoguanamine are available. Both substances were tested according to OECD Guideline 301 E, the modified Screening Test.
No significant biodegradation within 28 days was found in the test bottles with Benzoguanamine.
As well no biodegradability was found in the test bottles with Acetoguanamine. Further it could be shown, that the degradation of Acetoguanamine was not increased in the absence of nitrogen.
Taken together both substances were proven to be not readily biodegradable under the given test conditions.
Melamine another structural similar triazine derivate was described to be not readily biodegradable within the OECD SIDs evaluation program of Melamine available at: http://www.inchem.org/documents/sids/sids/108781.pdf.
In conclusion the Biowin prediction “Caprinoguanamine is not readily biodegradable” is considered to be valid, taken into account the information from structurally similar substances.
The similarity of the structures is outlined in the attached document.
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