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EC number: 911-418-6 | CAS number: 55965-84-9
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:
- 2001
- Reliability:
- 1 (reliable without restriction)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.326
- Temp.:
- 24 °C
- Remarks on result:
- other: RH 573 (MIT)
- Key result
- Type:
- Pow
- Partition coefficient:
- 2.519
- Temp.:
- 24 °C
- Remarks on result:
- other: RH-651 (CMIT)
- Details on results:
- NA
- Conclusions:
- The average octanollwater partition coefficient for pure 14c-labeled RH-24,651 is K, = 2.51 9 (log K, = 0.401) and for 14c-labeled RH-24,573 is K,, = 0.326 (log K, = -0.486), . These tests were done at 24°C and ambient pH.
- Executive summary:
Solutions of 14C-RH-573 and 14C RH-651 were prepared in n-octanol saturated water and equilibrated by continuous mixing. After 24 hours, the two phases were resolved by centrifugation and the concentration (from radioassay) in each phase determined.
RH-573 (MIT)
Result: Kp =0.326 (log Kp = -0.486)
Temperature: 24ºC
pH: not stated (ambient)RH-651 (CMIT)
Result: Kp =2.519 (log Kp = 0.401)
Temperature: 24ºC
pH: not stated (ambient)- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= -0.34 - <= 0.63
- Temp.:
- 10 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- >= -0.34 - <= 0.71
- Temp.:
- 30 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- >= -0.32 - <= 0.7
- Temp.:
- 20 °C
- pH:
- >= 5 - <= 9
- Conclusions:
- The partition coefficients for the active ingredients CIT and MIT are only minimally temperature and pH-dependant.
- Executive summary:
The water-octanol partition coefficient of a mixture of 5 -chloro-2 -methyl-2H-isothiazol-3 -one and 2 -methyl-2H-isothiazol-3 -one was investigated in a study according to EU method A.8. The high pressure liquid chromatography elution profile of the test substance was compared to the profiles of eight reference substances, and the partition coefficient was calculated from the linear capacity factor-log POW-regression. The partition coefficient was determined in pH- and temperature-dependance: pH 5 (20°C), 7 (10, 20 30°C) and 9 (20°C).
No pH- and only a slight temperature-dependance was observed.
Referenceopen allclose all
NA
table 1: temperture-dependace of logPOW:
| 10°C | 20°C | 30°C | |
| MIT | -0.34 | -0.32 | -0.34 |
| CIT | 0.63 | 0.67 | 0.71 |
table 2: pH-dependace of log POW:
| pH 5 | pH 7 | pH 9 | |
| MIT | -0.26 | -0.32 | -0.28 |
| CIT | 0.70 | 0.67 | 0.69 |
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.75
Additional information
Measured on active ingredients individually: (DOW)
C(M)IT: 0.401 at 24 °C (purity = 98.1%)
MIT: - 0.486 at 24 °C (purity = 97.8%)
These values will not vary as a function of pH and/or temperature. (DOW)
Measured on C(M)IT/MIT (3:1), 13.9% in water: (Thor)
C(M)IT: 0.75
MIT: -0.71
Test item is not considered ionisable. Therefore investigation of the pH effect on the partition coefficient is not necessary.
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