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EC number: 267-023-8 | CAS number: 67762-55-4
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: 22 September 2020. Experimental completion date: 28 September 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- assessment report
- 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 - HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- HPLC method, designed to be compatible with Method A.8 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.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- This study has been reviewed by the Quality Assurance Unit of Covance, and the report accurately reflects the raw data.
- Type of method:
- HPLC method
- Specific details on test material used for the study:
- Identification: ALKENES, C15-18 ALPHA-, SULFURIZED
CAS number:67762-55-4
EC number:267-023-8
Appearance/Physical state:dark red/brown liquid
Lot number:720HI434
Purity:100% UVCB
Expiry / Retest date:01 July 2022
Storage conditions:room temperature, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 9.4
- Temp.:
- 30 °C
- pH:
- 7
- Details on results:
- A log10 Pow result of >9.4 was taken from Harlan Study Number 41203598.
- Conclusions:
- The partition coefficient of the test item has been determined to be greater than 1 x 10 E10, log10 Pow >10.0.
- Executive summary:
The determination was carried out by the HPLC Method, using a procedure designed to be compatible with Method A.8 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 an appropriate detector. A reverse phase HPLC column with a very low percentage of polar groups was used and 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 x 10 E10, log10 Pow >10.0.
Reference
Results
PreliminaryEstimate
A log10Powresult of >9.4 was taken from Harlan Study Number 41203598.
DefinitiveTest
Typical chromatography is presented in Appendix 1 - Attachment 2 of this Summary.
Calibration
The retention times of the dead time and the retention times, capacity factors and log10 Powvalues for the reference standards are shown in the following table:
Table 2
Standard |
Retention Time (min) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
Thiourea (dead time) |
0.898 |
0.896 |
0.897 |
- |
- |
- |
Benzyl alcohol |
1.070 |
1.071 |
1.070 |
0.193 |
-0.714 |
1.1 |
Naphthalene |
1.752 |
1.752 |
1.752 |
0.953 |
-2.11 x 10-2 |
3.6 |
Triphenylamine |
3.959 |
3.960 |
3.960 |
3.41 |
0.533 |
5.7 |
1-Phenylnonane |
11.308 |
11.303 |
11.305 |
11.6 |
1.06 |
7.1 |
1-Phenylundecane |
21.055 |
21.053 |
21.054 |
22.5 |
1.35 |
8.1 |
1-Phenyldodecane |
29.042 |
29.037 |
29.039 |
31.4 |
1.50 |
8.7 |
1-Phenyltridecane |
40.287 |
40.281 |
40.284 |
43.9 |
1.64 |
9.4 |
1-Phenyltetradecane |
56.180 |
56.209 |
56.195 |
61.6 |
1.79 |
10.0 |
The calibration curve from which the sample results were taken from is shown as Attachment 1 of this Summary.
Partition coefficient of sample
The retention time, capacity factor and log10Powvalues determined for the sample are shown in the following table:
Table 3
Injection |
Retention Time (min) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
1 |
≥71.298 |
>61.6 |
>10.0 |
>1 x 1010 |
2 |
≥71.285 |
>61.6 |
>10.0 |
>1 x 1010 |
Overall log10Pow: >10.0
Overall partition coefficient: >1 x 1010
Description of key information
The determination was carried out by the HPLC Method, using a procedure designed to be compatible with Method A.8 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 an appropriate detector. A reverse phase HPLC column with a very low percentage of polar groups was used and 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 x 10 E10, log10 Pow >10.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10
- at the temperature of:
- 30 °C
Additional information
The determination was carried out by the HPLC Method, using a procedure designed to be compatible with Method A.8 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 an appropriate detector. A reverse phase HPLC column with a very low percentage of polar groups was used and 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 x 10 E10, log10 Pow >10.0.
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