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EC number: 266-235-8 | CAS number: 66204-44-2
- 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
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study according to guideline (OECD 121) in compliance with GLP. The deviations to the Guideline are small and are not expected to have an influence to the integrity of the results. The study appears well conducted and from the reported data no doubts on the validity of the study arise.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- (Study conducted according to draft guideline OECD 121)
- Deviations:
- yes
- Remarks:
- see principles of method
- Principles of method if other than guideline:
- The applied method is similar to the OECD Guideline 121. Deviations are:
1. The dead time was determined with thiourea (instead of formamide, urea or sodium nitrate) which was not retained by the column.
2. Three different mobile phases were tested, the range of composition includes the phase recommended by the Guideline (methanol/water 55/45% v/v).
3. Three reference substances applied in the study are not recommended by the Guideline. - GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Fraunhofer IME
- Type of method:
- HPLC estimation method
Test material
- Reference substance name:
- 3,3'-methylenebis[5-methyloxazolidine]
- EC Number:
- 266-235-8
- EC Name:
- 3,3'-methylenebis[5-methyloxazolidine]
- Cas Number:
- 66204-44-2
- Molecular formula:
- C9H18N2O2
- IUPAC Name:
- 3,3'-methylenebis[5-methyloxazolidine]
- Details on test material:
- - Reaction product from paraformaldehyde and 2-hydroxypropylamine (ratio 3:2)
- Specifications: Bakzid, CONTRAM(TM) MBO
- Lot/Batch number: 24773
- Clear liquid, no colour
- Purity 100 %
- Specific density: 1.05-1.06 g/cm3
- pH of the test substance at 20 °C: 9.5 (20 g/L), 10 (1000 g/L)
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- Temperature: 30°C
HPLC method
- Details on study design: HPLC method:
- TEST SYSTEM
- HPLC system: Alliance separation modul 2690, Waters
- Detector: LC/MS/MS
- Sampler: 2690, Waters
- Column: Zorbax SB-CN, 5 µm, 150 x 2.1 mm (Agilent)
- Mobile phases tested: Methanol / water (60/40 v/v); Methanol / water (50/50 v/v); Methanol / water (40/60 v/v)
- Flow: 250 µL/min
- Detector: LC-MS-MS mass spectrometer Quattro II, Micromass
REFERENCE SUBSTANCES
Name Log Koc
Thiourea -
Acetanilide 1.61
Atrazine 1.81
Monuron 1.99
Triapenthenol 2.37
Linurone 2.59
Fenthione 3.31
Trifluraline 3.94
Stock solutions of the reference compounds: about 10 mg/L in HPLC mobile phase
Results and discussion
Results: HPLC method
- Details on results (HPLC method):
- log Koc ≤ 0
Koc ≤ 1
Under all conditions tested the retention time of the target compound 5-methyl-oxazolidine were always identical with the dead times of the analytical system measured using thiourea. The dead time is not reported.
Results: Batch equilibrium or other method
- Transformation products:
- no
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The study failed to determine the Koc value of the test substance. Therefore only an upper limit could be estimated. However the Koc of 5-methyl-oxazolidine should be lower than the value for Thiourea. The measured Koc value for Thiourea according Schuurman et al. (2006)1 is 7.1 and an estimation of 2.75 was made by Canada, 20072 . QSAR estimations (Kocwin, Episuite v4.1) are between 5.6 L/kg (log Kow method) and 6.5 L/kg (MCI method).
- Executive summary:
The adsorption coefficient of the substance on soil was determined by the HPLC method following the Draft OECD Guideline 121. As the test substance is hydrolytically instable, the hydrolysis product 5-methyl-oxazolidine has been used as target compound. The applied method deviates only slightly from the OECD Guideline 121 approved after the study was conducted. Three different mobile phases (methanol/water 60/40, 50/50 and 40/60) were tested. The adsorption coefficient was calculated from measured retention times of the test substance and 6 reference substances.
The substance hydrolyses rapidly in water, therefore this substance cannot be used for analysis. Instead, the reaction product 5-methyl-oxazolidine was stable and suitable as analytical target compound. Under all conditions tested the retention time of the target compound 5-methyl-oxazolidine was always identical with the dead times of the analytical system measured using thiourea. Therefore, the OECD Test Guideline 121 was not applicable and for the Koc value only an upper limit could be estimated. The Koc value was estimated to be ≤ 1 L/kg.
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