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EC number: 257-884-8 | CAS number: 52372-36-8
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:
- September 08, 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.6
- Temp.:
- 25 °C
- pH:
- 6
- Executive summary:
The partition coefficient n-octanol/water of the test itemDisperse Red 362was determined according to the HPLC method.
It was found to be:
log POW=3.6
Reference
Individual results
Calculation of the partition coefficient log POWfrom the preliminary test
The program KOWWIN (part of EPI Suite) was used for calculating the log POW of the test item. The calculated value was 5.7.
Therefore according to the guidelines the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC method.
HPLC method
Table: Determination of the dead time t0
Dead time marker |
tR / min 1stinjection |
tR / min 2stinjection |
tR / min |
Formamide |
0.966 |
0.966 |
0.966 |
Table: Calibration data 1stinjection
Calibration substance |
tR / min |
k |
log k |
log POW 1) |
2-Butanone |
1.21 |
0.25 |
-0.60 |
0.3 |
Acetanilide |
1.14 |
0.18 |
-0.75 |
1.0 |
Cinnamyl alcohol |
1.26 |
0.31 |
-0.52 |
1.9 |
2,6-Dichlorobenzonitrile |
1.78 |
0.84 |
-0.07 |
2.6 |
Allyl phenyl ether |
2.08 |
1.15 |
0.06 |
2.9 |
Benzophenone |
2.06 |
1.14 |
0.06 |
3.2 |
Cumene |
3.21 |
2.32 |
0.37 |
3.7 |
Diphenyl ether |
2.88 |
1.98 |
0.30 |
4.2 |
Fluoranthene |
4.62 |
3.78 |
0.58 |
5.1 |
4,4’-DDT |
8.67 |
7.98 |
0.90 |
6.5 |
1)OECD guideline 117, adopted 2004
Regression:
Parameters: a = 3.0350
b = 3.377
r2= 0.9419
Table: log POWof the test item – 1stinjection
Test item |
tR/ min |
k |
log k |
log POW |
Disperse Red 362 |
2.349 |
1.43 |
0.16 |
3.6 |
Table: Calibration data 2ndinjection
Calibration substance |
tR / min |
k |
log k |
log POW 2) |
2-Butanone |
1.21 |
0.25 |
-0.60 |
0.3 |
Acetanilide |
1.14 |
0.18 |
-0.74 |
1.0 |
Cinnamyl alcohol |
1.27 |
0.31 |
-0.51 |
1.9 |
2,6-Dichlorobenzonitrile |
1.79 |
0.85 |
-0.07 |
2.6 |
Allyl phenyl ether |
2.08 |
1.15 |
0.06 |
2.9 |
Benzophenone |
2.07 |
1.14 |
0.06 |
3.2 |
Cumene |
3.21 |
2.32 |
0.37 |
3.7 |
Diphenyl ether |
2.88 |
1.98 |
0.30 |
4.2 |
Fluoranthene |
4.62 |
3.78 |
0.58 |
5.1 |
4,4’-DDT |
8.69 |
7.99 |
0.90 |
6.5 |
2)OECD guideline 117, adopted 2004
Regression:
Parameters: a = 3.0247
b = 3.397
r2= 0.9436
Table: log POWof the test item – 2ndinjection
Test item |
tR/ min |
k |
log k |
log POW |
Disperse Red 362 |
2.349 |
1.43 |
0.16 |
3.6 |
The partition coefficient POW of the test item was determined to be:
log POW= 3.6
Description of key information
The partition coefficient n-octanol/water of the test item Disperse Red 362 was determined according to the HPLC method.
It was found to be:
log POW=3.6
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.6
- at the temperature of:
- 25 °C
Additional information
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