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EC number: 941-718-2 | 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
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- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
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- 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:
- Experimental Starting Date: 03 December 2013 Experimental Completion Date: 10 March 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= 4.31 - <= 6.09
- Temp.:
- 35 °C
- pH:
- 7.33
- Conclusions:
- Please see the Executive Summary for the Conclusion.
- Executive summary:
The determination was carried out 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.
The test system consisted of a high performance liquid chromatograph with a suitable detector. A reverse phase HPLC column with a very low percentage of polar groups was used (e.g. C8, C18). The mobile phase contained at least 25% aqueous phase.
Conclusion
The partition coefficient of the test item has been determined to be in the range 2.05 x 104 to 1.23 x 106 (log10 Pow 4.31 to 6.09).
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental Starting Date: 03 December 2013 Experimental Completion Date: 10 March 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= 5.04 - <= 6.24
- Temp.:
- 35 °C
- pH:
- 7.33
- Conclusions:
- Please see the Executive Summary for the Conclusion from the report.
- Executive summary:
The determination was carried out 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.
The test system consisted of a high performance liquid chromatograph with a suitable detector. A reverse phase HPLC column with a very low percentage of polar groups was used (e.g. C8, C18). The mobile phase contained at least 25% aqueous phase.
Conclusion
The partition coefficient of the test item has been determined to be in the range 1.10 x 105 to 1.74 x 106(log10 Pow 5.04 to 6.24).
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- 1. Hypothesis for the analogue approach:
The hypothesis for the analogue approach is that both the registration substance, Hydrocarbons, C9-C11, n-alkanes, isoalkanes, <2% aromatics (target substance), and the test substances, Hydrocarbons, C8-C11, n-alkanes, isoalkanes, <2% aromatics (source substance) and Hydrocarbons, C9-C12, n-alkanes, isoalkanes, <2% aromatics (source substance), are produced from the same Fischer-Tropsch substance, GTL Gasoil, by fractional distillation.
The source substances contain the all of the constituents of the target substance. The substances have constituents that are part of the same homologous series and have many constituents in common. The substances therefore have qualitatively similar properties (RAAF Scenario 2 applies).
2. Source and target chemical(s)
The source substance Hydrocarbons, C8-C11, n-alkanes, isoalkanes, <2% aromatics is composed of linear, branched and cyclic hydrocarbons of chain length C8-C11
The source substance Hydrocarbons, C9-C12, n-alkanes, isoalkanes, <2% aromatics, is composed of linear, branched and cyclic hydrocarbons of chain length C9-C12
The target substance, Hydrocarbons, C9-C11, n-alkanes, isoalkanes, <2% aromatics, is composed of linear, branched and cyclic hydrocarbons of chain length C9-C11.
3. Analogue approach justification
The constituents of the source and target substances are all hydrocarbons. Identical constituents have identical physicochemical profiles. The source substances cover the full carbon chain length of the target substance. - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Type:
- log Pow
- Partition coefficient:
- >= 4.31 - <= 6.09
- Temp.:
- 35 °C
- pH:
- 7.33
- Type:
- log Pow
- Partition coefficient:
- >= 5.04 - <= 6.24
- Temp.:
- 35 °C
- pH:
- 7.33
Referenceopen allclose all
Results
Preliminary estimate
Approximate solubility in n-octanol: greater than 1.04 x 105 mg/L
Approximate solubility in water: less than 15.1 mg/L
Approximate partition coefficient: greater than 6.89 x 103 (log Pow> 3.84)
Definitive test
Please see Attachment 2 for the Typical Chromatography.
Calibration
The dead time and the retention times, capacity factors (k′) and log10Pow values for the reference standards are shown in the following tables:
Table 3.10
Dead Time |
Retention Time (min) |
Mean Retention Time (min) |
|
Injection 1 |
Injection 2 |
||
Formamide |
1.686 |
1.686 |
1.686 |
Table 3.11
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Hexane |
4.648 |
4.647 |
4.648 |
1.76 |
0.245 |
3.90 |
Heptane |
5.313 |
5.314 |
5.314 |
2.15 |
0.333 |
4.66 |
Octane |
6.117 |
6.119 |
6.118 |
2.63 |
0.420 |
5.18 |
Nonane |
7.107 |
7.108 |
7.108 |
3.22 |
0.507 |
5.65 |
Dodecane |
11.532 |
11.534 |
11.533 |
5.84 |
0.766 |
6.10 |
Tetradecane |
16.240 |
16.245 |
16.243 |
8.63 |
0.936 |
7.20 |
Partition coefficient of sample
The retention times, capacity factors and log10Pow values determined for the sample are shown in the following table:
Table 3.12
Peak |
Injection |
Retention Time (mins) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
Mean log10Pow |
Pow |
Mean Area% |
1 |
1 |
4.947 |
1.93 |
0.286 |
4.34 |
4.31 |
2.05 x 104 |
3.47 |
2 |
4.843 |
1.87 |
0.272 |
4.28 |
||||
2 |
1 |
5.459 |
2.24 |
0.350 |
4.63 |
4.64 |
4.39 x 104 |
3.38 |
2 |
5.525 |
2.28 |
0.357 |
4.66 |
||||
3 |
1 |
6.134 |
2.64 |
0.421 |
4.94 |
4.99 |
9.74 x 104 |
7.31 |
2 |
6.343 |
2.76 |
0.441 |
5.03 |
||||
4 |
1 |
6.637 |
2.94 |
0.468 |
5.15 |
5.15 |
1.42 x 105 |
9.33 |
2 |
6.638 |
2.94 |
0.468 |
5.15 |
||||
5 |
1 |
7.115 |
3.22 |
0.508 |
5.33 |
5.33 |
2.14 x 105 |
23.2 |
2 |
7.119 |
3.22 |
0.508 |
5.33 |
||||
6 |
1 |
7.702 |
3.57 |
0.552 |
5.53 |
5.53 |
3.38 x 105 |
23.6 |
2 |
7.707 |
3.57 |
0.553 |
5.53 |
||||
7 |
1 |
8.309 |
3.93 |
0.594 |
5.71 |
5.71 |
5.18 x 105 |
23.7 |
2 |
8.308 |
3.93 |
0.594 |
5.71 |
||||
8 |
1 |
8.911 |
4.29 |
0.632 |
5.88 |
5.88 |
7.67 x 105 |
5.27 |
2 |
8.931 |
4.30 |
0.633 |
5.89 |
||||
9 |
1 |
9.744 |
4.78 |
0.679 |
6.09 |
6.09 |
1.23 x 106 |
0.676 |
2 |
9.728 |
4.77 |
0.679 |
6.09 |
Overall log10Pow: 4.31 to 6.09
Partition coefficient: 2.05 x 104 to 1.23 x 106
Results
Preliminary estimate
Approximate solubility in n-octanol: greater than 1.04 x 105 mg/L
Approximate solubility in water: less than 15.0 mg/L
Approximate partition coefficient: greater than 6.95 x 103 (log Pow> 3.84)
Please see Attachment 2 for Typical Chromatography.
Calibration
The dead time and the retention times, capacity factors (k′) and log10Pow values for the reference standards are shown in the following tables:
Table 3.10
Dead Time |
Retention Time (min) |
Mean Retention Time (min) |
|
Injection 1 |
Injection 2 |
||
Formamide |
1.686 |
1.687 |
1.687 |
Table 3.11
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Hexane |
4.649 |
4.649 |
4.649 |
1.76 |
0.245 |
3.90 |
Heptane |
5.316 |
5.316 |
5.316 |
2.15 |
0.333 |
4.66 |
Octane |
6.123 |
6.124 |
6.124 |
2.63 |
0.420 |
5.18 |
Nonane |
7.113 |
7.115 |
7.114 |
3.22 |
0.508 |
5.65 |
Dodecane |
11.546 |
11.550 |
11.548 |
5.85 |
0.767 |
6.10 |
Tetradecane |
16.275 |
16.279 |
16.277 |
8.65 |
0.937 |
7.20 |
Partition coefficient of sample
The retention times, capacity factors and log10Pow values determined for the sample are shown in the following table:
Table 3.12
Peak |
Injection |
Retention Time (mins) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
Mean log10Pow |
Pow |
Mean Area% |
1 |
1 |
6.346 |
2.76 |
0.441 |
5.03 |
5.04 |
1.10 x 105 |
1.07 |
2 |
6.387 |
2.79 |
0.445 |
5.05 |
||||
2 |
1 |
6.654 |
2.95 |
0.469 |
5.16 |
5.15 |
1.43 x 105 |
1.86 |
2 |
6.647 |
2.94 |
0.469 |
5.15 |
||||
3 |
1 |
7.117 |
3.22 |
0.508 |
5.33 |
5.33 |
2.13 x 105 |
8.62 |
2 |
7.116 |
3.22 |
0.508 |
5.33 |
||||
4 |
1 |
7.732 |
3.58 |
0.554 |
5.54 |
5.54 |
3.44 x 105 |
14.3 |
2 |
7.736 |
3.59 |
0.555 |
5.54 |
||||
5 |
1 |
8.321 |
3.93 |
0.595 |
5.71 |
5.72 |
5.19 x 105 |
28.9 |
2 |
8.322 |
3.93 |
0.595 |
5.72 |
||||
6 |
1 |
9.002 |
4.34 |
0.637 |
5.90 |
5.90 |
8.00 x 105 |
26.9 |
2 |
8.998 |
4.34 |
0.637 |
5.90 |
||||
7 |
1 |
9.759 |
4.79 |
0.680 |
6.09 |
6.09 |
1.24 x 106 |
15.44 |
2 |
9.760 |
4.79 |
0.680 |
6.09 |
||||
8 |
1 |
10.404 |
5.17 |
0.713 |
6.24 |
6.24 |
1.74 x 106 |
2.84 |
2 |
10.396 |
5.16 |
0.713 |
6.24 |
Overall log10Pow: 5.04 to 6.24
Partition coefficient: 1.10 x 105to 1.74 x 106
Description of key information
The log Kow (constituents of the substance): ≥4.31 to ≤6.24 at 35°C and pH 7.3 (measured)
log Kow (constituents): 4.12 - 6.23 at 20°C (QSAR)
Key value for chemical safety assessment
Additional information
There are no reliable measured relative density data for the submission substance. However, reliable data are available for related substances in the relevant carbon number range, including other Fischer-Tropsch process-derived substances.
In OECD 117 studies using the HPLC method, which was conducted in compliance with GLP, Hydrocarbons, C8-C11, n-alkanes, isoalkanes, <2% aromatics (GTL Solvent GS160) and Hydrocarbons, C9 -C12, n-alkanes, isoalkanes, <2% aromatics (GTL Solvent GS170) had measured Kow values in the range ≥2.05 x 104 to ≤1.23 x 106 (log10 Kow ≥4.31 to ≤6.09) and 1.10 x 105 to 1.74 x 106 (log10 Kow ≥5.04 to ≤6.24) at 35°C and pH 7.3 respectively. The results are considered to be reliable and are used as weight of evidence.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
