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EC number: - | CAS number: -
- 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 01 - 02 December 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.53
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: T not determined
- Remarks:
- Log Pow of N-propylphthalimide (95% confidence limits: 2.42–2.63)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.03
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: T not determined
- Remarks:
- Log Pow of N-sec-butylphthalimide (95% confidence limits: 2.91–3.15)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.11
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: T not determined
- Remarks:
- Log Pow of N-butylphthalimide (95% confidence limits: 2.98–3.23)
- Details on results:
- The dead time was determined to be 1.44 min.
The log Pow value for the first test item component (N-propylphthalimide) was determined to be 2.53 (95% confidence limits: 2.42–2.63) in the single injection run and 2.53 (95% confidence limits: 2.42–2.63) in the mixed injection run.
The log Pow value for the second test item component (N-sec-butylphthalimide) was determined to be 3.03 (95% confidence limits: 2.91–3.15) in the single injection run and 3.03 (95% confidence limits: 2.91–3.15) in the mixed injection run.
The log Pow value for the third test item component (N-butylphthalimide) was determined to be 3.11 (95% confidence limits: 2.98–3.23) in the single injection run and 3.11 (95% confidence limits: 2.98–3.23) in the mixed injection run.
Consequently, the log Pow values of the three, main components of the test item calculated as the mean of both determinations, are 2.53 for N-propylphthalimide (95% confidence limits: 2.42–2.63), 3.03 for N-sec-butylphthalimide (95% confidence limits: 2.91–3.15) and 3.11 for N-butylphthalimide (95% confidence limits: 2.98–3.23) at a pH of 7.0. - Conclusions:
- The HPLC method was applied for the determination of the log Pow of the test item “Reaction mass of N-butylphthalimide and N-propylphthalimide and N-sec-butylphthalimide” (CAS No. 1515-72-6). The log Pow values of the three, main components of the test item, calculated as the mean of two determinations, are 2.53 for N-propylphthalimide, 3.03 for N-sec-butylphthalimide and 3.11 for N-butylphthalimide at a pH of 7.0.
- Executive summary:
The log Pow values of the three, main components of the test item “Reaction mass of N-butylphthalimide and N-propylphthalimide and N-sec-butylphthalimide” were determined according to TG OECD 117. These determinations are based upon a regression analysis of the log Pow values of reference items against their respective retention times as determined by HPLC analysis. The log Pow values were determined at the environmentally relevant pH of 7.0.
The following reference items were used: 4 -Acetylpyridine, Aniline, Nitrobenzene, Chlorobenzene, Ethylbenzene and Benzyl benzoate. The dead time of the HPLC system was determined with Thiourea.
This set of reference items yielded a calibration with log Pow values ranging from 0.5 to 4.0 and retention times ranging from 1.95 min to 54.9 min. The dead time of the HPLC system was 1.44 min.
Two determinations of the log Pow value of the three, main components of the test item were conducted: first, by injecting each reference item and the test item separately; secondly, by injecting all of them together.
The log Pow value for the first test item component (N-propylphthalimide) was determined to be 2.53 (95% confidence limits: 2.42–2.63) in the single injection run and 2.53 (95% confidence limits: 2.42–2.63) in the mixed injection run.
The log Pow value for the second test item component (N-sec-butylphthalimide) was determined to be 3.03 (95% confidence limits: 2.91–3.15) in the single injection run and 3.03 (95% confidence limits: 2.91–3.15) in the mixed injection run.
The log Pow value for the third test item component (N-butylphthalimide) was determined to be 3.11 (95% confidence limits: 2.98–3.23) in the single injection run and 3.11 (95% confidence limits: 2.98–3.23) in the mixed injection run.
The determinations are valid since the values of log Pow derived from these two repeated measurements fall within +- 0.1 log units.
Consequently, the log Pow values of the three, main components of the test item, calculated as the mean of both determinations, are 2.53 for N-propylphthalimide (95% confidence limits: 2.42–2.63), 3.03 for N-sec-butylphthalimide (95% confidence limits: 2.91–3.15) and 3.11 for N-butylphthalimide (95% confidence limits: 2.98–3.23) at a pH of 7.0.
Reference
Regression for the determination of the log POW value of the three constituents with the single injection run:
Plot log Pow vs log k:
coefficient of regression (r^{2}) | 0.997 |
intercept | 1.246 |
slope | 1.68 |
N-propylphthalimide log Pow and 95% confidence interval for log Pow |
2.53 (2.42 - 2.63) |
N-sec-butylphthalimide log Pow and 95% confidence interval for log Pow |
3.03 (2.91 - 3.15) |
N-butylphthalimide log Pow and 95% confidence interval for log Pow |
3.11 (2.98 - 3.23) |
Regression for the determination of the log POW value of the three constituents with the mixed injection run:
Plot log Pow vs log k:
coefficient of regression (r^{2}) | 0.997 |
intercept | 1.245 |
slope | 1.68 |
N-propylphthalimide log Pow and 95% confidence interval for log Pow |
2.53 (2.42 - 2.63) |
N-sec-butylphthalimide log Pow and 95% confidence interval for log Pow |
3.03 (2.91 - 3.15) |
N-butylphthalimide log Pow and 95% confidence interval for log Pow |
3.11 ( 2.98 - 3.23) |
Description of key information
The log POW value for the first test item component (N-propylphthalimide) was determined to be 2.53 (95% confidence limits: 2.42–2.63) in the single injection run and 2.53 (95% confidence limits: 2.42–2.63) in the mixed injection run. The log POW value for the second test item component (N-sec-butylphthalimide) was determined to be 3.03 (95% confidence limits: 2.91–3.15) in the single injection run and 3.03 (95% confidence limits: 2.91–3.15) in the mixed injection run. The log POW value for the third test item component (N-butylphthalimide) was determined to be 3.11 (95% confidence limits: 2.98–3.23) in the single injection run and 3.11 (95% confidence limits: 2.98–3.23) in the mixed injection run. The determinations are valid since the values of log POW derived from these two repeated measurements fall within ±0.1 log units.
Consequently, the log POW values of the three, main components of the test item calculated as the mean of both determinations, are 2.53 for N-propylphthalimide (95% confidence limits: 2.42–2.63), 3.03 for N-sec-butylphthalimide (95% confidence limits: 2.91–3.15) and 3.11 for N-butylphthalimide (95% confidence limits: 2.98–3.23) at a pH of 7.0
Key value for chemical safety assessment
Additional information
The log Pow value for constituent N-butylphthalimide is 3.11 at a pH of 7.0.
The log Pow value for constituent N-propylphthalimide is 2.53 at a pH of 7.0.
The log Pow value for constituent N-sec-butylphthalimide is 3.03 at a pH of 7.0.
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