Registration Dossier
Registration Dossier
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EC number: 242-899-4 | CAS number: 19231-06-2
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:
- January 11, 2019 to February 18, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -1.5
- Temp.:
- 20 °C
- pH:
- ca. 6.5
- Conclusions:
- log Pow= -1.50
- Executive summary:
The partition coefficient (Pow) of DIMETHOXYDIPHENYL-IODONIUMBROMID in n-octanol - water was determined to be 0.032 ± 0.004 (95 % confidence interval) at 20 °C and pH ~6.5, which corresponds to log Pow of -1.50 using the shake flask method, according to OECD Test Guideline 107 and EC No. 440/2008 Part A. Method A.8.
Reference
The calculated partition coefficient (Pow) and log Pow are summarised in the following table. The nine log Pow values were within a range of ± 0.3 log units and thus complied with the guidelines.
Ratio of solvents (n-octanol : Water) | Partition coefficient | Log Partition coefficient | pH conditions | ||
| Pow | Mean | Log Pow | Mean | Mean | |
| 1:1 | 0.031 | -1.51 | |||
| 1:1 | 0.030 | 0.030 | -1.51 | -1.51 | 6.58 |
| 1:1 | 0.030 | -1.51 | |||
| 1:2 | 0.027 | -1.57 | |||
| 1:2 | 0.028 | 0.027 | -1.56 | -1.56 | 6.84 |
| 1:2 | 0.028 | -1.55 | |||
| 2:1 | 0.039 | -1.41 | |||
| 2:1 | 0.039 | 0.039 | -1.41 | -1.41 | 6.25 |
| 2:1 | 0.039 | -1.41 | |||
Mean all with 95% | 0.032±0.004 | -1.50 |
Description of key information
The partition coefficient (Pow) of DIMETHOXYDIPHENYL-IODONIUMBROMID in n-octanol - water was determined to be 0.032 ± 0.004 (95 % confidence interval) at 20 °C and pH ~6.5, which corresponds to log Pow of -1.50 using the shake flask method, according to OECD Test Guideline 107 and EC No. 440/2008 Part A. Method A.8.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.5
- at the temperature of:
- 20 °C
Additional information
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