Registration Dossier
Registration Dossier
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EC number: 923-654-7 | CAS number: 172529-94-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 3 Sep. 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propane-1,3-diol
- EC Number:
- 923-654-7
- Cas Number:
- 172529-94-1
- Molecular formula:
- C10H14N5O2Cl
- IUPAC Name:
- 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propane-1,3-diol
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -0.84
- Temp.:
- 25 °C
- pH:
- 9
Any other information on results incl. tables
Individual results:
Flask 1: Initially 20 mL octanol+20 mL water+ 138.4 mg sample; in oct.801.6 mg/L, in water 5.349 g/L (pH 9.0)
Flask 2: Initially 20 mL octanol+20 mL water+ 137.9 mg sample; in oct.824.9 mg/L, in water 5.627 g/L (pH 9.0)
Flask 3: Initially 30 mL octanol+15 mL water+ 156.1 mg sample; in oct.881.6 mg/L, in water 6.903 g/L (pH 9.0)
Flask 4: Initially 30 mL octanol+15 mL water+ 151.7 mg sample; in oct.880.4 mg/L, in water 6.829 g/L (pH 9.0)
Flask 5: Initially 15 mL octanol+30 mL water+ 153.1 mg sample; in oct.753.1 mg/L, in water 4.709 g/L (pH 9.0)
Flask 6: Initially 15 mL octanol+30 mL water+ 153.1 mg sample; in oct.787.7 mg/L, in water 4.968 g/L (pH 9.0)
|
Pow |
logPow |
Recovery rate (%) |
Flask 1 |
0.150 |
-0.82 |
88.9 |
Flask 2 |
0.147 |
-0.83 |
93.6 |
Flask 3 |
0.128 |
-0.89 |
83.3 |
Flask 4 |
0.129 |
-0.89 |
84.9 |
Flask 5 |
0.160 |
-0.80 |
99.7 |
Flask 6 |
0.159 |
-0.80 |
101.7 |
mean |
0.146 |
-0.84 |
|
Std. dev. |
0.014 |
0.04 |
|
final result for logPow (confidence 95%, k = 2): -0.84 ± 0.08
Applicant's summary and conclusion
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.
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