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Diss Factsheets
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EC number: 690-928-8 | CAS number: 39992-90-0
- 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: inherent biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 08/2017
- 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
2. MODEL (incl. version number):
- BIOWIN (v4.10)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
- Smiles: O=C(N(C)C)NC1CC(C)(C)CC(CNC(=O)(N(C)C))(C)C1
- Formular: C16 H32 N4 O2
- Mol WT: 312.46
- Strukture: see ch 1.1 "Identification"
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: Biodegradability
- Unambiguous algorithm:
- Biowin1 (Linear Model Prediction)
- Biowin2 (Non-Linear Model Prediction)
- Biowin3 (Ultimate Biodegradation Timeframe)
- Biowin4 (Primary Biodegradation Timeframe)
- Biowin5 (MITI Linear Model Prediction)
- Biowin6 (MITI Non-Linear Model Prediction)
- Biowin7 (Anaerobic Model Prediction)
- Defined domain of applicability: na
- Appropriate measures of goodness-of-fit and robustness and predictivity: na
- Mechanistic interpretation: na
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain: na
- Structural and mechanistic domains:
- Carbon with 4 single bonds and no hydrogens
- Molecular weight parameter (Biowin 1 - 6)
- Methyl [-CH3] (Biowin 5 - 7)
-CH2- [linear] (Biowin 5 - 7)
-CH2- [cyclic] (Biowin 5 - 7)
-CH- [cyclic] (Biowin 5 - 7)
- Equation Constant (Biowin 1 - 6)
- Similarity with analogues in the training set: na
- Other considerations (as appropriate): na
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment] - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- not specified
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Value:
- < 0.5
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Remarks:
- Biowin 1 - 7
- Conclusions:
- Based on QSAR prediction, IPDI-Uron does not biodegrade fast.
- Executive summary:
Based on QSAR prediction, IPDI-Uron does not biodegrade fast.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 03/2017 - 06/2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Version / remarks:
- The higher NaOH concentration is based on years of experience and ensures that the carbon dioxide produced is actually absorbed to the sodium hydroxide completely (see deviations from guideline).
- Deviations:
- yes
- Remarks:
- NaOH concentration used for CO2-Absorption in the gas wash bottles is higher (0.2 M) than indicated in the guidelline (0.05 M).
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- Batch: 703709
Purity: 100 %
CoA: 2017-02-15 - Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic (adaptation not specified)
- Details on inoculum:
- Activated sludge from the municipal wastewater treatment plant Breisgauer Bucht was used as
inoculum with a concentration corresponding to 30 mg dry solids per litre. The treatment plant
clarifies predominantly domestic wastewater and has a capacity of 600.000 inhabitant
equivalents. Sampling date of activated sludge was on 03 April 2017. The dry solid content of the
activated sludge was 5.09 g/L. It was determined by weight measurements after drying at 105°C
for 4 hours (mean of triplicate measurements). The activated sludge was washed twice with tap
water by settling the sludge, decanting the supernatant and re-suspending the sludge. - Duration of test (contact time):
- ca. 28 d
- Initial conc.:
- >= 19.8 - <= 19.9 mg/L
- Based on:
- TOC
- Initial conc.:
- >= 48.2 - <= 48.5 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- inorg. C analysis
- Reference substance:
- benzoic acid, sodium salt
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- ca. 0.3
- Sampling time:
- 28 d
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test item did not reach the criteria for ready biodegradability (60% of ThCO2 within a 10-d window).
- Executive summary:
No degradation of the test item could be measured during the test duration. The mean
degradation extent at the end of the test was -0.3%.
The degradation extent in the toxicity control was 47.8% within 14 days, the test substance had
no inhibitory effect on the inoculum.
The reference compound sodium benzoate reached the pass levels for ready biodegradability
within 4 days.
The mean CO2-evolution of the blank flasks was 32.0 mg/L on day 28 after acidification.
Referenceopen allclose all
Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Months
Biowin4 (Primary Biodegradation Timeframe): Weeks
Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO
Description of key information
Ready biodegradability was assessed by modified Sturm test (OECD 301B, CO2 evolution test) and calculated by QSAR (EPI Suite, Biowin 4.10).
Key value for chemical safety assessment
- Biodegradation in water:
- not biodegradable
Additional information
QSAR calculation showed that the test item will not degrade fast.
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