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EC number: 269-119-5 | CAS number: 68187-67-7
- 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:
- The study was conducted between 03 September 2014 and 09 June 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Amines, C12-14-tert-alkyl, isooctyl mono phosphates
- IUPAC Name:
- Amines, C12-14-tert-alkyl, isooctyl mono phosphates
- Reference substance name:
- Unknown, including minor amounts of diphosphate species, water. Possibly residual unreacted starting material and unknown byproducts.
- IUPAC Name:
- Unknown, including minor amounts of diphosphate species, water. Possibly residual unreacted starting material and unknown byproducts.
- Test material form:
- liquid: viscous
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- 73.6
- Remarks on result:
- other: with respect to the C12-14 alkylamine species
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.87
- Remarks on result:
- other: with respect to the C12-14 alkylamine species
- Key result
- Type:
- Pow
- Partition coefficient:
- >= 43.4 - <= 297 000
- Remarks on result:
- other: with respect to the isooctyl phosphate species
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 1.64 - <= 5.47
- Remarks on result:
- other: with respect to the isooctyl phosphate species
- Details on results:
- Positive Mode MS Run
Mean log10 Pow: 1.87
Partition coefficient: 73.6
Negative Mode MS Run
Overall Log10 Pow: In the range 1.64 to ~ 5.47
Partition coefficient: In the range 43.4 to ~ 2.97E+05
Any other information on results incl. tables
Positive mode MS run
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10Pow values for the reference standards are shown in the following tables:
Dead Time |
Retention time (mins) Injection 1 |
Retention time (mins) Injection 2 |
Mean Retention Time (mins) |
Thiourea |
1.270 |
1.278 |
1.274 |
Standard | Retention Time (mins) Injection 1 | Retention Time (mins) Injection 2 | Retention Time (mins) Mean | Capacity Factor (k') | Log10k' | Log10Pow |
2 -Butanone | 1.473 |
1.473 | 1.473 | 0.156 | -0.806 | 0.3 |
Toluene | 3.670 | 3.672 | 3.671 | 1.88 | 0.275 | 2.7 |
Naphthalene | 4.836 | 4.841 | 4.839 | 2.80 | 0.447 | 3.6 |
Phenanthrene | 10.704 | 10.731 | 10.718 | 7.41 | 0.870 | 4.5 |
Triphenylamine | 24.104 | 24.166 | 24.135 | 17.9 | 1.25 | 5.7 |
DDT | 32.570 | 32.630 | 32.600 | 24.6 | 1.39 | 6.5 |
Partition coefficient of sample
The retention times, capacity factor and log10Pow value determined for the sample are shown in the following table:
Injection |
Retention Time (mins) |
Capacity Factor (k′) |
Log10k' |
Log10Pow |
1 |
2.177 |
0.709 |
-0.150 |
1.87 |
2 |
2.175 |
0.707 |
-0.150 |
1.87 |
Mean log10Pow: 1.87
Partition coefficient: 73.6
Negative mode MS run
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10Pow values for the reference standards are shown in the following tables:
Dead Time |
Retention time (mins) Injection 1 |
Retention time (mins) Injection 2 |
Mean Retention Time (mins) |
Thiourea |
1.270 |
1.272 |
1.271 |
Standard | Retention Time (mins) Injection 1 | Retention Time (mins) Injection 2 | Retention Time (mins) Mean | Capacity Factor (k') | Log10k' | Log10Pow |
2 -Butanone | 1.472 |
1.474 | 1.473 | 0.159 | -0.799 | 0.3 |
Toluene | 3.669 | 3.686 | 3.678 | 1.89 | 0.277 | 2.7 |
Naphthalene | 4.839 | 4.863 | 4.851 | 2.82 | 0.450 | 3.6 |
Phenanthrene | 10.729 | 10.810 | 10.770 | 7.47 | 0.874 | 4.5 |
Triphenylamine | 24.215 | 24.443 | 24.329 | 18.1 | 1.26 | 5.7 |
DDT | 32.742 | 33.105 | 32.924 |
24.9 |
1.40 |
6.5 |
Partition coefficient of sample
The retention times, capacity factor and log10Pow value determined for the sample are shown in the following table:
Peak No. | Injection | Retention Time (mins) | Capacity Factor (k') | Log10k' | Log10Pow | Mean Log10Pow |
1 | 1 | 1.998 | 0.572 | -0.243 | 1.59 | 1.64 |
1 | 2 | 2.052 | 0.615 | -0.212 | 1.68 | |
2 (complex) | 1 | ~12.5 to ~19 | ~8.84 to ~14.0 | ~0.946 to ~1.15 | ~4.92 to ~5.47 | ~4.92 to ~5.47 |
2 ( complex) | 2 | ~12.5 to ~19 | ~8.84 to ~14.0 | ~0.946 to ~1.15 | ~4.92 to ~5.47 |
Overall Log10Pow: In the range 1.64 to ~ 5.47
Partition coefficient: In the range 43.4 to ~ 2.97 x 105
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (Pow) of the test item has been determined to be 73.6, log10 Pow 1.87 (with respect to the C12-14 alkylamine species) and in the range 43.4 to approximately 2.97E+05, log10 Pow in the range 1.64 to approximately 5.47 (with respect to the isooctyl phosphate species).
- Executive summary:
The partition coefficient (octanol/water) of the test substance was 73.6, log10 Pow 1.87 (with respect to the C12-14 alkylamine species) and in the range 43.4 to approximately 2.97 x 105, log10 Pow in the range 1.64 to approximately 5.47 (with respect to the isooctyl phosphate species), using the HPLC method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
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