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EC number: - | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
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- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
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- Endpoint summary
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- Ecotoxicological Summary
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- Additional toxicological data

Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 September 2017 - 03 October 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- 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:
- other: EU method A.24: Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method.
- Version / remarks:
- 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Physical appearance: white powder with lumps
- Test item storage: at room temperature protected from light
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.1
- Temp.:
- 20 °C
- Remarks on result:
- other: main constituent; tr= 6.03 min., peak area = 96%; unbuffered mobile phase
- Details on results:
- - Retention times of reference substances used for calibration: see table below
- Details of fitted regression line: log k' = 0.479 x log Pow – 1.466 (r = 0.96, n=14)
- Graph of regression line and chromatograms: see attachment
- The chromatogram of test substance showed one major peak (96% area) and several small peaks. The log Pow for the major peak was reported as the log Pow for ROC-118. See attachment.
- Average retention data for test item: see table below
- The value of log Pow obtained from duplicate measurements was within ± 0.1 log units.
Any other information on results incl. tables
Results Partition coefficient n-octanol-water (HPLC method)
Powof the Test Item
Substance |
Retention time (min) |
log Pow |
Pow |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.596 |
0.596 |
0.596 |
|
|
|
Benzylalcohol |
0.632 |
0.631 |
|
1.1 |
|
|
Nitrobenzene |
0.771 |
0.769 |
|
1.9 |
|
|
Toluene |
1.494 |
1.493 |
|
2.7 |
|
|
Biphenyl |
2.581 |
2.578 |
|
4.0 |
|
|
1,2,4-Trichlorobenzene |
2.975 |
2.975 |
|
4.2 |
|
|
Dibenzyl |
4.270 |
4.277 |
|
4.8 |
|
|
Triphenylamine |
7.817 |
7.817 |
|
5.7 |
|
|
Impurity 1 |
1.441 |
1.446 |
1.444 |
3.4 |
2.4*103 |
0.30 |
Impurity 2 |
1.960 |
1.965 |
1.963 |
3.8 |
6.6*103 |
0.31 |
Impurity 3 |
2.083 |
2.082 |
2.083 |
3.9 |
7.8*103 |
0.47 |
Impurity 4 |
2.719 |
2.720 |
2.720 |
4.2 |
1.6*104 |
3.2 |
Major component |
6.037 |
6.026 |
6.032 |
5.1 |
1.2*105 |
96 |
Remark: the log Pow values of the reference substances are according to OECD TG 117.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance was determined to be 5.1 (HPLC method).
- Executive summary:
The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. Formamide was used as unretained substance. Duplicate injections of unretained substance, reference substances and test item were made in an UPLC system. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection was 210 nm for the unretained substances as well as the reference substances, and 257 nm for the test item and blank solution. The chromatogram of the test item showed 1 major and several small peaks. The log Pow values for the peaks with area of 96% and 3.2% were determined to be 5.1 and 4.2, resp. The log Pow of the substance is thus 5.1.
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.

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