Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 200-389-9 | CAS number: 58-61-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 September - 05 October
- 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 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Adenosine
- EC Number:
- 200-389-9
- EC Name:
- Adenosine
- Cas Number:
- 58-61-7
- Molecular formula:
- C10H13N5O4
- IUPAC Name:
- adenosine
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Test material form:
- solid: particulate/powder
- Details on test material:
- Batch No.: 10004539
Storage at room temperature approx. 20°C
Constituent 1
impurity 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.07
- Temp.:
- 21.5 °C
- pH:
- 7
- Remarks on result:
- other: The determined log POW values were in the range of -1.09 to -1.06 for all three volume ratios and all replicates. Std. deviation from three determinations: ± 0.01. The temperature was in the range of 21-22°C.
- Details on results:
- Calculation method
The log POW of Adenosine is given as -1.1 as reported in EPI Suite™ v4.11 (exper. database match by Hansch, C et al. (1995) and Pomona (1987)).
Flask method
The determined log POW values were in the range of -1.09 to -1.06 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 102% to 104%. The determined log POW value of Adenosine (CAS no. 58-61-7) at pH 7.0 is -1.07 with a standard deviation of ± 0.01.
The log Pow of the test item is given as the mean value of all measurements. Detailed results are given in the table in the field 'Any other information on results incl. tables'.
Any other information on results incl. tables
| Ratio n-octanol:water (v:v) | Analysed concentration n-octanol (mg/L) |
Analysed concentration water (mg/L) | Pow | log Pow | pH | |
| 1:4 | 179 | 2034 | 0.0880 | -1.06 | 7.0 | |
| 1:4 | 169 | 2016 | 0.0837 | -1.08 | 7.0 | |
| 1:9 | 178 | 2032 | 0.0875 | -1.06 | 7.0 | |
| 1:9 | 174 | 2045 | 0.0850 | -1.07 | 7.0 | |
| 1:19 | 170 | 2071 | 0.0820 | -1.09 | 7.0 |
|
| 1:19 | 177 | 2080 | 0.0851 | -1.07 | 7.0 | |
| Mean | -1.07 | |||||
Further remarks:
The result obtained in this study is in very good accordance with the reported log POW value of -1.1 as given in EPI Suite™ v4.11 (exper. database match by Hansch, C et al. (1995) and Pomona (1987)).
Applicant's summary and conclusion
- Conclusions:
- The shake flask method according to TG OECD 107 was applied for the determination of the log Pow of Adenosine (CAS 58-61-7). The determined log Pow value at pH 7.0 is -1.07 with a standard deviation of ± 0.01.
- Executive summary:
The log POW of the test item Adenosine (CAS no. 58-61-7) was determined according to TG OECD 107.
Aqueous phosphate buffer at pH 7.0, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases.
The determined log POW values were in the range of -1.09 to -1.06 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 102% to 104%.
The determined log POW value of Adenosine at pH 7.0 is -1.07 with a standard deviation of ± 0.01.
The validity criterion was fulfilled.
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.
