Registration Dossier
Registration Dossier
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EC number: 942-085-5 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- 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.
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance, Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 5.57 - <= 6.62
- 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 3.69 x 105 to 4.13 x 106 (log10 Pow 5.57 to 6.62).
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- Experimental Starting Date: 03 December 2013 Experimental Completion Date: 11 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.
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance, Hydrocarbons, C12-C15, n-alkanes, isoalkanes <2% aromatics contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 5.91 - <= 7.2
- Temp.:
- 35 °C
- pH:
- 7.7
- 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 8.20 x 105 to greater than 1.58 x 107 (log10 Pow 5.91 to > 7.20).
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- Experimental Starting Date: 04 December 2013 Experimental Completion Date: 11 March 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance, Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.85 - 7.2
- Temp.:
- 35 °C
- pH:
- 7.33
- Remarks on result:
- other: 6.85 to >7.2
- 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 7.14 x 106 to greater than 1.58 x 107 (log10 Pow 6.85 to > 7.20).
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- Experimental Starting Date: 05 December 2013 Experimental Completion Date: 11 March 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The hypothesis for the analogue approach is that the test substance, Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics contains constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 35 °C
- pH:
- 7.33
- Remarks on result:
- other: Log Kow of >7.20 was determined for constituents of the substance
- 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 greater than 1.58 x 107(log10 Pow > 7.20).
Referenceopen allclose all
Results
Preliminary estimate
Approximate solubility in n-octanol: greater than 1.00 x 105 mg/L
Approximate solubility in water: less than 10.6 mg/L
Approximate partition coefficient: greater than 9.47 x 103(log Pow> 3.98)
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 |
1.688 |
1.687 |
Table 3.11
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Hexane |
4.655 |
4.652 |
4.654 |
1.76 |
0.245 |
3.90 |
Heptane |
5.324 |
5.320 |
5.322 |
2.15 |
0.333 |
4.66 |
Octane |
6.129 |
6.128 |
6.129 |
2.63 |
0.420 |
5.18 |
Nonane |
7.124 |
7.121 |
7.123 |
3.22 |
0.508 |
5.65 |
Dodecane |
11.575 |
11.568 |
11.572 |
5.86 |
0.768 |
6.10 |
Tetradecane |
16.319 |
16.319 |
16.319 |
8.67 |
0.938 |
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 |
7.842 |
3.65 |
0.562 |
5.57 |
5.57 |
3.69 x 105 |
2.25 |
2 |
7.843 |
3.65 |
0.562 |
5.57 |
||||
2 |
1 |
8.322 |
3.93 |
0.595 |
5.71 |
5.71 |
5.15 x 105 |
9.41 |
2 |
8.324 |
3.93 |
0.595 |
5.71 |
||||
3 |
1 |
9.040 |
4.36 |
0.639 |
5.91 |
5.91 |
8.10 x 105 |
16.8 |
2 |
9.032 |
4.35 |
0.639 |
5.91 |
||||
4 |
1 |
9.779 |
4.80 |
0.681 |
6.09 |
6.09 |
1.24 x 106 |
25.1 |
2 |
9.779 |
4.80 |
0.681 |
6.09 |
||||
5 |
1 |
10.521 |
5.24 |
0.719 |
6.26 |
6.27 |
1.85 x 106 |
25.4 |
2 |
10.548 |
5.25 |
0.720 |
6.27 |
||||
6 |
1 |
11.535 |
5.84 |
0.766 |
6.47 |
6.47 |
2.98 x 106 |
15.7 |
2 |
11.537 |
5.84 |
0.766 |
6.47 |
||||
7 |
1 |
12.289 |
6.28 |
0.798 |
6.62 |
6.62 |
4.1 x 106 |
5.28 |
2 |
12.297 |
6.29 |
0.799 |
6.62 |
Overall log10Pow: 5.57 to 6.62
Partition coefficient: 3.69 x 105 to 4.13 x 106
Results
Preliminary estimate
Approximate solubility in n-octanol: greater than 1.01 x 105 mg/L
Approximate solubility in water: less than 10.6 mg/L
Approximate partition coefficient: greater than 9.49 x 103 (log Pow> 3.98)
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 |
1.684 |
1.683 |
1.684 |
Table 3.11
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Hexane |
4.646 |
4.652 |
4.649 |
1.76 |
0.246 |
3.90 |
Heptane |
5.315 |
5.323 |
5.319 |
2.16 |
0.334 |
4.66 |
Octane |
6.124 |
6.161 |
6.143 |
2.65 |
0.423 |
5.18 |
Nonane |
7.120 |
7.128 |
7.124 |
3.23 |
0.509 |
5.65 |
Dodecane |
11.575 |
11.587 |
11.581 |
5.88 |
0.769 |
6.10 |
Tetradecane |
16.325 |
16.339 |
16.332 |
8.70 |
0.940 |
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 |
9.046 |
4.37 |
0.641 |
5.91 |
5.91 |
8.20 x 105 |
1.48 |
2 |
9.078 |
4.39 |
0.643 |
5.92 |
||||
2 |
1 |
9.801 |
4.82 |
0.683 |
6.10 |
6.10 |
1.25 x 106 |
4.31 |
2 |
9.797 |
4.82 |
0.683 |
6.10 |
||||
3 |
1 |
10.628 |
5.31 |
0.725 |
6.28 |
6.29 |
1.94 x 106 |
9.18 |
2 |
10.664 |
5.33 |
0.727 |
6.29 |
||||
4 |
1 |
11.576 |
5.88 |
0.769 |
6.48 |
6.48 |
3.01 x 106 |
16.1 |
2 |
11.567 |
5.87 |
0.769 |
6.48 |
||||
5 |
1 |
12.393 |
6.36 |
0.804 |
6.63 |
6.63 |
4.27 x 106 |
23.7 |
2 |
12.374 |
6.35 |
0.803 |
6.63 |
||||
6 |
1 |
13.711 |
7.14 |
0.854 |
6.86 |
6.86 |
7.17 x 106 |
21.5 |
2 |
13.710 |
7.14 |
0.854 |
6.86 |
||||
7 |
1 |
14.639 |
7.70 |
0.886 |
7.00 |
7.00 |
9.97 x 106 |
17.6 |
2 |
14.633 |
7.69 |
0.886 |
7.00 |
||||
8 |
1 |
16.260 |
8.66 |
0.937 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
6.20 |
2 |
16.254 |
8.65 |
0.937 |
> 7.20 |
Overall log10Pow: 5.91 to > 7.20
Partition coefficient: 8.20 x 105 to > 1.58 x 107
Results
Preliminary estimate
Approximate solubility in n-octanol: greater than 1.00 x 105 mg/L
Approximate solubility in water: less than 9.90 mg/L
Approximate partition coefficient: greater than 1.01 x 104 (log Pow > 4.01)
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 |
1.684 |
1.684 |
1.684 |
Table 3.11
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Hexane |
4.655 |
4.657 |
4.656 |
1.76 |
0.247 |
3.90 |
Heptane |
5.325 |
5.328 |
5.327 |
2.16 |
0.335 |
4.66 |
Octane |
6.134 |
6.139 |
6.137 |
2.64 |
0.422 |
5.18 |
Nonane |
7.132 |
7.135 |
7.134 |
3.24 |
0.510 |
5.65 |
Dodecane |
11.594 |
11.599 |
11.597 |
5.89 |
0.770 |
6.10 |
Tetradecane |
16.349 |
16.358 |
16.354 |
8.71 |
0.940 |
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 |
13.710 |
7.14 |
0.854 |
6.85 |
6.85 |
7.14 x 106 |
9.94 |
2 |
13.715 |
7.14 |
0.854 |
6.85 |
||||
2 |
1 |
14.987 |
7.90 |
0.898 |
7.05 |
7.04 |
1.11 x 107 |
18.2 |
2 |
14.929 |
7.87 |
0.896 |
7.04 |
||||
3 |
1 |
16.319 |
8.69 |
0.939 |
>7.20 |
>7.20 |
>1.58 x 107 |
26.3 |
2 |
16.333 |
8.70 |
0.939 |
>7.20 |
||||
4 |
1 |
17.445 |
9.36 |
0.971 |
>7.20 |
>7.20 |
>1.58 x 107 |
26.9 |
2 |
17.451 |
9.36 |
0.971 |
>7.20 |
||||
5 |
1 |
19.408 |
10.52 |
1.022 |
>7.20 |
>7.20 |
>1.58 x 107 |
14.6 |
2 |
19.418 |
10.53 |
1.022 |
>7.20 |
||||
6 |
1 |
20.647 |
11.26 |
1.052 |
>7.20 |
>7.20 |
>1.58 x 107 |
4.15 |
2 |
20.661 |
11.27 |
1.052 |
>7.20 |
Overall log10Pow: 6.85 to > 7.20
Partition coefficient: 7.14 x 106 to > 1.58 x 107
Results
Preliminary estimate
Approximate solubility in n-octanol: greater than 9.99 x 104 mg/L
Approximate solubility in water: less than 11.4 mg/L
Approximate partition coefficient: greater than 8.76 x 103 (log Pow > 3.94)
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 |
1.680 |
1.680 |
1.680 |
Table 3.11
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k′) |
log10k′ |
log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Hexane |
4.646 |
4.645 |
4.646 |
1.77 |
0.247 |
3.90 |
Heptane |
5.314 |
5.313 |
5.314 |
2.16 |
0.335 |
4.66 |
Octane |
6.122 |
6.119 |
6.121 |
2.64 |
0.422 |
5.18 |
Nonane |
7.114 |
7.110 |
7.112 |
3.23 |
0.510 |
5.65 |
Dodecane |
11.559 |
11.546 |
11.553 |
5.88 |
0.769 |
6.10 |
Tetradecane |
16.293 |
16.279 |
16.286 |
8.69 |
0.939 |
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 |
16.197 |
8.64 |
0.937 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
3.03 |
2 |
16.194 |
8.64 |
0.936 |
> 7.20 |
||||
2 |
1 |
17.795 |
9.59 |
0.982 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
6.36 |
2 |
18.059 |
9.75 |
0.989 |
> 7.20 |
||||
3 |
1 |
19.304 |
10.49 |
1.021 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
9.25 |
2 |
19.318 |
10.50 |
1.021 |
> 7.20 |
||||
4 |
1 |
20.671 |
11.30 |
1.053 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
15.9 |
2 |
20.696 |
11.32 |
1.054 |
> 7.20 |
||||
5 |
1 |
23.038 |
12.71 |
1.104 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
15.7 |
2 |
23.050 |
12.72 |
1.104 |
> 7.20 |
||||
6 |
1 |
24.655 |
13.68 |
1.136 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
16.8 |
2 |
24.647 |
13.67 |
1.136 |
> 7.20 |
||||
7 |
1 |
27.451 |
15.34 |
1.186 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
13.5 |
2 |
27.428 |
15.33 |
1.185 |
> 7.20 |
||||
8 |
1 |
29.318 |
16.45 |
1.216 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
14.3 |
2 |
29.406 |
16.50 |
1.218 |
> 7.20 |
||||
9 |
1 |
32.619 |
18.42 |
1.265 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
3.08 |
2 |
32.883 |
18.57 |
1.269 |
> 7.20 |
||||
10 |
1 |
35.026 |
19.85 |
1.298 |
> 7.20 |
> 7.20 |
> 1.58 x 107 |
2.16 |
2 |
35.469 |
20.11 |
1.303 |
> 7.20 |
Overall log10Pow: > 7.20
Partition coefficient: greater than 1.58 x 107
Description of key information
Log Kow (constituents of the substance):
≥5.57 to >7.2 at 35°C (read-across)
Log Kow (constituents): 5.11 - 9.18 at 20°C (QSAR)
Key value for chemical safety assessment
Additional information
There is no data available for Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. However, data is available for structural analogues, Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics; Hydrocarbons, C12-C15, n-alkanes, isoalkanes, <2% aromatics; Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics; and Hydrocarbons C15 -C19, n-alkanes, isoalkanes, <2% aromatics and presented in the dossier. The hypothesis for the analogue approach is that the test substances, contain constituents which are also constituents of the target substance, Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics. The substances have overlapping constituents and therefore have qualitatively similar properties (RAAF Scenario 2 applies).
There are no reliable measured n-octanol/water partition coefficient data for the registration substance. However, reliable data are available for related substances in the relevant carbon number range.
In OECD 117 studies using the HPLC method, which were conducted in compliance with GLP, Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics (GS190) had measured Kow values in the range ≥3.69 x 105 to ≤4.13 x 106 (log10Kow ≥5.57 to ≤6.62); Hydrocarbons, C12-C15, n-alkanes, isoalkanes, <2% aromatics (GS215) had measured Kow values in the range 8.20 x 105 to 1.58 x 107 (log10Kow ≥5.91 to ≤7.2) at 35°C and pH 7.7; Hydrocarbons, C14-C16, n-alkanes, isoalkanes, <2% aromatics (GS250) has measured Kow values in the range 7.14 x 106 to >1.58 x 107(log10Kow 6.85 to >7.2) at 35°C and pH 7.3. Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics has a measured Kow value of > 1.58 x 107 (log10Kow >7.2) at 35°C and pH 7.3. The results are considered to be reliable and are used as weight of evidence.
As supporting information, predicted log Kow values for individual constituents of the submission substance have been calculated. The log Kow of each constituent has been predicted using a validated QSAR estimation method. The prediction method uses a fragment method and log Kow increases with increasing carbon number. The individual constituents of the substance have predicted log Know values in the range 5.11 - 9.18 at 20°C.
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