Registration Dossier
Registration Dossier
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EC number: 204-590-2 | CAS number: 123-00-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02 - 19 February 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-morpholinopropylamine
- EC Number:
- 204-590-2
- EC Name:
- 3-morpholinopropylamine
- Cas Number:
- 123-00-2
- Molecular formula:
- C7H16N2O
- IUPAC Name:
- 3-morpholin-4-ylpropan-1-amine
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 7E401
- Storage condition of test material: At room temperature, at 20 ± 5 °C
- Description: Clear and substantially free of foreign matter
- Purity: 99.8 %
- Expiration Date: November 11, 2018
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.076
- Temp.:
- 20 °C
- pH:
- >= 10.81 - <= 11.03
Any other information on results incl. tables
Preliminary estimation:
| Solvent | Mass of sample (mg) | Solvent volume (mL) | Predicted solubility (g/L) | Log P |
| Water | 2000 | 2 | 1000.00 | 0.000 |
| Octanol | 2000 | 2 | 1000.00 | 0.000 |
Regression Outputs:
x Coefficient: 0.0034
R Square: 0.9993
720 mg of test material was dissolved in 500 ml of water saturated with octanol. Samples were shaken for 2 hours and allowed to separate over a 40 hour period before testing. Some opaque cloudy material was observed at the interface between the water / octanol layers.
Main study:
Mean of 6 runs (-1.0707, -1.0873, -1.0444, -1.0468, -0.1040, -1.1056).
Applicant's summary and conclusion
- Conclusions:
- The Log Pow of the test item was estimated to be -1.076.
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