Registration Dossier
Registration Dossier
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EC number: 201-055-5 | CAS number: 77-75-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 989
- Report date:
- 1989
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Methylpentynol
- EC Number:
- 201-055-5
- EC Name:
- Methylpentynol
- Cas Number:
- 77-75-8
- Molecular formula:
- C6H10O
- IUPAC Name:
- 3-methylpent-1-yn-3-ol
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.91
- Temp.:
- 25 °C
- Remarks on result:
- other: The study was performed without adjustment of pH value.
Any other information on results incl. tables
Results
1. Test sample: |
|
20.9404 g | 1-0ctanol (water-saturated) |
0.0231 g | 3-Methyl-l-pentin-3-o1 (MPI) |
25.0966 g | Water (octanol-saturated) |
| Measurement 1 | Measurement 2 | Measurement 3 | Average | Standard deviation |
Concentration of MPI in the 1-octanol layer c/(g/l) | 0.817 | 0.821 | 0.822 | 0.822 | 0.006 |
Concentration of MPI in the water layer c/(g/l) | 0.109 | 0.105 | 0.113 | 0.109 | 0.004 |
Pow = c (MPI in octanol layer) / c (MPI in water layer)
= 0.822 g/l / 0.109 g/l
= 7.54
2. Test sample: |
|
20.9378 g | 1-0ctanol (water-saturated) |
0.0531 g | 3-Methyl-l-pentin-3-o1 (MPI) |
24.8864 g | Water (octanol-saturated) |
| Measurement 1 | Measurement 2 | Measurement 3 | Average | Standard deviation |
Concentration of MPI in the 1-octanol layer c/(g/l) | 1.859 | 1.874 | 1.878 | 1.870 | 0.010 |
Concentration of MPI n the water layer c/(g/l) | 0.228 | 0.213 | 0.224 | 0.222 | 0.008 |
Pow = 8.42
3. Test sample: |
|
20.9448 g | 1-0ctanol (water-saturated) |
0.2321 g | 3-Methyl-l-pentin-3-o1 (MPI) |
24.8621 g | Water (octanol-saturated) |
| Measurement 1 | Measurement 2 | Measurement 3 | Average | Standard deviation |
Concentration of MPI in the 1-octanol layer c/(g/l) | 8.013 | 8.108 | 7.988 | 8.036 | 0.063 |
Concentration of MPI in the water layer c/(g/l) | 0.993 | 0.951 | 1.011 | 0.985 | 0.031 |
Pow = 8.16
Summary:
| POW | log POW |
1. Test sample | 7.54 | 0.88 |
2. Test sample | 8.42 | 0.93 |
3. Test sample | 8.16 | 0.91 |
Avarage | 8.04 | 0.91 |
Deviation from the mean | +/- 0.45 |
|
The study was performed without adjustment of pH value.
Applicant's summary and conclusion
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