Registration Dossier
Registration Dossier
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EC number: 951-275-7 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 17 July 2017 Experimental completion date: 29 September 2017.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: FRET 14-0383
Chemical name: Octahydro-1-(methoxymethylene)-4,7-methano-1H-indene, mixture of isomers
Description: clear colorless liquid
Batch number: GM435-17
Purity: 95.2%
Expiry date: 01 January 2019
Storage conditions: approximately 4 °C, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 5.02 - <= 5.08
- Temp.:
- 25 °C
- pH:
- 6.9
- Details on results:
- Log 10 Pow: over the range 5.02 to 5.18
Partition coefficient : over the range 1.05 x 10^5 to 1.50 x 10^5
pH: 6.9 - Conclusions:
- The partition coefficient of FRET 14-0383 has been determined as log Pow 5.02 - 5.08 at 25 °C under OECD TG 117 (HPLC method) in compliance with GLP.
- Executive summary:
The partition coefficient of FRET 14 -0383 has been determined as log Pow 5.02 - 5.08 at 25 °C under OECD TG 117 (HPLC method) in compliance with GLP.
Reference
Preliminary Estimate
The log10 Pow was calculated to be: 3.16
Partition coefficient of sample
The retention times, capacity factor and log10 Pow value determined for the sample are shown in the following table:
Peak |
Injection |
Retention Time (min) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
Mean |
Mean |
1 |
1 |
15.248 |
7.23 |
0.859 |
5.02 |
5.02 |
4.5 |
2 |
15.248 |
7.23 |
0.859 |
5.02 |
|||
2 |
1 |
16.069 |
7.67 |
0.885 |
5.10 |
5.10 |
69.2 |
2 |
16.069 |
7.67 |
0.885 |
5.10 |
|||
3 |
1 |
16.900 |
8.12 |
0.909 |
5.18 |
5.18 |
26.4 |
2 |
16.900 |
8.12 |
0.909 |
5.18 |
Description of key information
The partition coefficient of FRET 14 -0383 has been determined as log Pow 5.02 - 5.08 at 25 °C under OECD TG 117 (HPLC method) in compliance with GLP.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.02
- at the temperature of:
- 25 °C
Additional information
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