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EC number: 258-548-3 | CAS number: 53423-65-7
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:
- November 16 – December 11, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- 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
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Composition: Benzenesulfonic acid, 2,4,5-trichloro-, sodium salt – 100%
CAS# 53423-65-7
EC# 258-548-3
Physical Description: White powder
Stability: Test substance was expected to be stable for the duration of testing.
Expiration Date: December 31, 2018 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2
- Temp.:
- 20 °C
- pH:
- 5.56
- Conclusions:
- The partition coefficent (Log Pow) was determined to be -2.00.
- Executive summary:
In a GLP guideline study conducted according to OPPTS 830.7550, OECD TG 107, and EC method A8, the partition coefficient (Log Pow) was determined to be -2.00.
Reference
VolumeRatio (n-octanol:water) |
Vessel # |
Phase1 |
DilutionFactor |
Avg.Counts |
Mean |
Pow |
LogPow |
Avg.LogPow |
1:1 |
1 |
O |
1 |
22000 |
22624 |
1.013x10-2 |
-1.99 |
-2.00 |
23248 |
||||||||
W |
41 |
54054 |
54470 |
|||||
54886 |
||||||||
2 |
O |
1 |
22107 |
22641.5 |
1.010x10-2 |
-2.00 |
||
23176 |
||||||||
W |
41 |
55360 |
54702 |
|||||
54044 |
||||||||
2:1 |
3 |
O |
1 |
21958 |
22571 |
0.987x10-2 |
-2.01 |
-2.00 |
23184 |
||||||||
W |
41 |
55944 |
55768.5 |
|||||
55593 |
||||||||
4 |
O |
1 |
22094 |
22892.5 |
1.017x10-2 |
-1.99 |
||
23691 |
||||||||
W |
41 |
55025 |
54885 |
|||||
54745 |
||||||||
1:2 |
5 |
O |
1 |
22388 |
23147.5 |
1.018x10-2 |
-1.99 |
-2.00 |
23907 |
||||||||
W |
41 |
55203 |
55438 |
|||||
55673 |
||||||||
6 |
O |
1 |
22880 |
23312 |
0.986x10-2 |
-2.01 |
||
23744 |
||||||||
W |
41 |
57902 |
57672.5 |
|||||
57443 |
||||||||
MeanResult |
-2.00± 0.00 |
|||||||
Description of key information
The partition coefficent (Log Pow) was determined to be -2.00.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2
- at the temperature of:
- 20 °C
Additional information
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