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Diss Factsheets
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EC number: 200-644-4 | CAS number: 67-16-3
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide
- EC Number:
- 200-644-4
- EC Name:
- N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide
- Cas Number:
- 67-16-3
- Molecular formula:
- C24H34N8O4S2
- IUPAC Name:
- N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide
- Test material form:
- solid: particulate/powder
- Remarks:
- Pale yellow powder
- Details on test material:
- Batch : 18117240
Dose calculation will not be adjusted to purity
Constituent 1
- Specific details on test material used for the study:
- Batch 14/10/GP2
Expiry date : 10/09/2012
Storage : room temperature 20°C +/-5°C - dark - dry
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 20 °C
- pH:
- ca. 5
Any other information on results incl. tables
CONDUCT OF THE STUDY
-Pre-Tests:
In the preliminary test, a solution of the test item with a concentration of 1060 mg/l was injected in order to check retention time and the signal height
-Determination of Dead Time:
The dead time to was measured by using an unretained organic compound (thio urea) which was included in the mix of the reference items.
-Determination of the Log Pow of the Test Item:
A mix of reference items (with toluene as substance with the highest log POW) and a test item solution with a concentration of 1060 mg/L was used for the determination of the log Pow of the test item.
One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC. Three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.
The data was saved, the retention times of the seven peaks of the reference item mix andthe retention time of the peak of the test item were used for further calculations.
CALCULATION OF RESULT:
Capacity Factor K :
The capacity factor K for every peak was calculated using the following equation: K = (tR-t0)/t0
with
tR: retention time,
t0: dead time
Calibration Log K vs Log Pow
The calibration function was drawn up from the six measurements of the capacity factors of the reference items. By plotting the log Pow values (as stated in the guideline) of the reference items against the mean log capacity factors and performing linear regression, a calibration function was obtained.
Calibration of Log Pow :
With the calculated capacity factors for the test item, each log Pow from the three determinations was calculated.
Finally, mean and standard deviation of the log Pow were calculated.
Applicant's summary and conclusion
- Conclusions:
- The chromatogram of the test item 5007 TDS gave one peak with the mean retention time of 1.706 minutes. With the calibration function log K versus log Pow, the corresponding log Pow was calculated. Because the peak lies within the dead time of the method and not within the range of log Pows of the reference items, the log Pow of the test item 5007 TDS should be stated as <0.3.
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