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EC number: 268-610-1 | CAS number: 68131-13-5
- 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:
- November 8-11, 2010
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Naphthenic acids, reaction products with diethylenetriamine
- EC Number:
- 268-610-1
- EC Name:
- Naphthenic acids, reaction products with diethylenetriamine
- Cas Number:
- 68131-13-5
- Molecular formula:
- C16H21N3O2 (minimal)
- IUPAC Name:
- Naphthenic acids, reaction products with diethylenetriamine
- Details on test material:
- Chemical name:Naphthenic acids, reaction products with diethylenetriamine
Product name: MK195KSF
CAS RN: 68131-13-5
The sample was stored in the dark, at ambient temperature, in the container in which it was received until required for testing, when an appropriate subsample was provided for the test operator.
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- < 1.4
- pH:
- 7
- Remarks on result:
- other: Temperature range: 20.79 to 21.11°C
- Details on results:
- Peak no. log10 POW
1 < 0
2 0.54
3 1.1
4 1.4
The test is described as valid for the quantitative estimation of log10 POW values in the range of 0 to 6. In those instances where the statistical treatment of the experimental data produces a calculated log10 POW value outside of this range then the final result is quoted as either < 0 or > 6 as appropriate.
Any other information on results incl. tables
The retention times from the individual injections and the derived k' values are given in Table 1.
From the experimentally derived k’ measurements and the literature POWvalues of the reference substances (Ref 1), the equation of the fitted regression line was determined as:
log10POW= a.log10k’ + b
where, a =slope
b =intercept
These data are displayed graphically in Figure 1. The coefficient of determination (r2) of these data was calculated as 0.979 at pH 7,indicating an approximately linear relationship between log10POWand log10k’.
The test described has been validated for the quantitative estimation of log10POWvalues in the range 0 to 6 (Ref 1). In those instances where the statistical treatment of the experimental data produces a calculated log10POWvalue outside of this range then the final result is quoted as either < 0 or > 6 as appropriate.
At pH 7, the k’ for MK195KSFwas calculated for the 100 mg L-1test concentration only. The k’ values for a 100 mg L-1standard were 0.03, 0.26, 0.39 and 0.53 for Peaks 1, 2, 3 and 4, respectively. Therefore, the estimated log10POWfor MK195KSF at pH 7 is < 0, 0.54, 1.1 and 1.4 for Peaks 1, 2, 3 and 4, respectively.
At pH 7,the k’ values for MK195KSFwere not calculated for the 10 and 50 mg L-1test concentrations. Peaks were observed at similar retention times to those obtained from the 100 mg L-1test concentrationand added confidence that peaks obtained were due to the test substance.
The pH of the mobile phase was nominally 7 (pH 7 buffer measured at 7.02). The temperature of the room in which the HPLC work was performed ranged between 20.79 to 21.11 °C.
Table 1 Reference Standards Retention times and derived k’ values – pH 7
Substancea
|
Retention time injection 1 (min) |
Retention time injection 2 (min) |
Mean retention time, tr(min) |
Derived k' valueb |
log10POW |
Sodium nitrate |
1.005 |
1.002 |
1.004c |
- |
- |
Acetanilide |
1.306 |
1.308 |
1.307 |
0.30 |
1.0d |
Toluene |
2.998 |
3.013 |
3.006 |
2.00 |
2.7d |
Naphthalene |
3.715 |
3.721 |
3.718 |
2.71 |
3.6d |
Biphenyl |
5.314 |
5.303 |
5.309 |
4.29 |
4.0d |
Phenanthrene |
6.836 |
6.840 |
6.838 |
5.81 |
4.5d |
ppDDT |
23.738 |
23.722 |
23.730 |
22.65 |
6.5d |
100 mg L-1standard Peak 1 |
1.033 |
1.037 |
1.035 |
0.03 |
< 0e |
100 mg L-1standard Peak 2 |
1.262 |
1.267 |
1.265 |
0.26 |
0.54 |
100 mg L-1standard Peak 3 |
1.397 |
1.401 |
1.399 |
0.39 |
1.1 |
100 mg L-1standard Peak 4 |
1.532 |
1.535 |
1.534 |
0.53 |
1.4 |
a sodium nitrate, acetanilide, biphenyl and phenanthrene were extracted at 240 nm whereas toulene and naphthalene were extracted at 215 nm. For the 100 mg L-1standards, Peaks 1, 2, 3 and 4 were extracted at 198, 220, 210 and 210, respectively.
b k’= (tr-t0)/t0
c this is the t0value used in the calculation of k¢
d log10POWliterature value
e quoted as < 0 as this method is only validated between log10POWvalues from 0 to 6
Applicant's summary and conclusion
- Conclusions:
- Peak no. log10 POW
1 < 0
2 0.54
3 1.1
4 1.4
The test is described as valid for the quantitative estimation of log10 POW values in the range of 0 to 6. In those instances where the statistical treatment of the experimental data produces a calculated log10 POW value outside of this range then the final result is quoted as either < 0 or > 6 as appropriate.
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