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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
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Study period:
- 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Estimation according to a generally accepted calculation method.
Data source
Reference
- Title:
- Unnamed
- Year:
- 2 005
Materials and methods
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:
- - Test material: Reaction products of paraformaldehyde and 2-hydroxypropylamine (ratio of 3:2)
- Lot/Batch number: Batch number: NA 2571
- Specification: MAR 71
- Clear, yellow fluid; infinitely soluble in water; density 1.061 kg/L; refraction index at 20°C 1.475
- Purity: 95% (w/w)
- Further relevant properties: vapour pressure < 1 hPa
Constituent 1
Study design
- Estimation method (if used):
- The degradation rate constant with OH radicals for photochemical oxidative reaction of 3,3'-methylenebis(5-methyloxazolidine), the main constituent of CONTRAMTMMBO, is estimated based on the structure of this constituent (smiles notation) and a OH-radical concentration of 5x105 OH radicals per cm3 (recommended default value according to EC 2003, part II chapter 3, 2.3.6.3, p. 51) for a 24-hours-day. The calculation was performed using the Atmospheric Oxidation Program (AOPWIN) version 1.92 provided by EPI SuiteTM v4.0 (see excerpt of AOPWIN-protocol below).
Excerpt of AOPWIN-protocol
SMILES : C1(C)CN(CN2CC(C)OC2)CO1
MOL FOR: C9 H18 N2 O2
MOL WT : 186.26
--SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --
Hydrogen Abstraction = 181.2451 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 132.0000 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 313.2451 E-12 cm3/molecule-sec
HALF-LIFE = 0.051 Days (24-hr day; 0.5E6 OH/cm3)
HALF-LIFE = 1.229 Hrs
Results and discussion
Any other information on results incl. tables
Rate constants |
Using the derived overall OH rate constant of 3.132451 ·10-10 cm3·molecule-1 ·sec-1 and assuming an OH-radical concentration (kOH) of 5.0 · 105 molecules·cm-3 and a 24-hour day, kdegair is calculated to be 13.53 d-1. kdegair (pseudo first order rate const. for degradation in air) = kOH • cOH • 24 • 3600 [d-1] with kOH: specific degradation rate constant with OH-radicals/overall OH rate constant [cm3xmolec.-1xs-1] cOH = 5·105 moleculesxcm-3 according to EC 2003, part II chapter 3, 2.3.6.3, p. 51 |
Half-lives |
t0.5= 1.229 h |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- For 3,3’- Methylene-bis [5-methyl-oxazolidine], a specific degradation rate constant of 3.13 · 10^-10 cm^3 molecule^-1s^-1 was calculated. The corresponding half-live was 1.23 hours. The results suggest that MBO is very rapidly degraded in air by photo-oxidative processes. Significant amounts of MBO are not likely to persist in air.
- Executive summary:
For 3,3’- Methylene-bis [5-methyl-oxazolidine],the main constituent of the substance, the rate constant for indirect photolysis with OH radicals was estimated using the program AOPWIN v1.91. Ozone reaction was not estimated by the model.
The calculation was based on 0.5·106OH radicals per cm3 for a 24‑hours-day according to the TGD (EC 2003, part II chapter 3, 2.3.6.3, p. 51).
For 3,3’- Methylene-bis [5-methyl-oxazolidine], a specific degradation rate constant of 3.13 · 10-10 cm3molecule-1s-1was calculated. The corresponding half-live was 1.23 hours.
In the atmosphere, the relevant indirect degradation pathway is the reaction with OH radicals. Degradation rates for the reaction with ozone and NO3radicals were not estimated by the model. Because of the lack of double bonds in the molecules, reaction with ozone is not expected. Reaction with NO3radicals is expected to be negligible, compared to reaction with OH radicals. Also direct photolysis is not expected,because the UV spectrum of the reaction product (substance) shows only a weak, broad absorption band at 263 nm. The US EPA method OPPTS 835.2310 states that the test method is applicable to all chemicals which have a UV/absorption maximum in the range of 290-800 nm. Chemicals with UV/absorption maximum of < 290 nm cannot undergo direct photolysis in sunlight.
Because of the low vapour pressure and hydrolysis, no significant volatilisation of MBO is expected. Therefore, degradation in the atmosphere is considered to be of minor importance.
Phototransformation in air has been estimated according to generally accepted methods. The estimation was considered to be valid.
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