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EC number: 203-105-1 | CAS number: 103-37-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Data is from experimental reports
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), 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:
- 3.127
- Temp.:
- 25 °C
- pH:
- 7.58
- Conclusions:
- The partition coefficient of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.127± 0.001 at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were 4-Methoxy phenol, benzene, Toluene, Ethyl benzene, biphenyl, n butyl benzene having Pow value ranging from 1.3 to 4.6. The Log Pow value was found to be 3.127± 0.001 at 25°C.
Reference
Observation table:
Reference substance |
Log Pow |
tR1 |
tR2 |
tR3 |
MeantR± S.D. |
k |
Log k |
Formamide |
- |
0.897 |
0.899 |
0.9 |
0.898±0.001 |
- |
- |
4 Methoxy phenol |
1.3 |
1.219 |
1.222 |
- |
1.220±0.002 |
0.359 |
-0.444 |
benzene |
2.1 |
1.501 |
1.504 |
- |
1.502±0.002 |
0.673 |
-0.171 |
Toluene |
2.7 |
2.685 |
2.69 |
- |
2.687±0.003 |
1.992 |
0.299 |
Ethylbenzene |
3.2 |
3.61 |
3.599 |
- |
3.604±0.007 |
3.01 |
0.478 |
Biphenyl |
4 |
4.714 |
4.743 |
- |
4.728±0.020 |
4.265 |
0.629 |
n butyl benzene |
4.6 |
7.963 |
7.966 |
- |
7.964±0.002 |
7.869 |
0.895 |
Test substance |
K |
Log k |
Log Pow by Calibration Graph |
Mean of Log Pow± S.D. |
|
tR1 |
2.894 |
2.222 |
0.346 |
3.126 |
3.127± 0.001 |
tR2 |
2.898 |
2.227 |
0.347 |
3.128 |
|
Description of key information
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were 4-Methoxy phenol, benzene, Toluene, Ethyl benzene, biphenyl, n butyl benzene having Pow value ranging from 1.3 to 4.6. The Log Pow value was found to be 3.127± 0.001 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.127
- at the temperature of:
- 25 °C
Additional information
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were 4-Methoxy phenol, benzene, Toluene, Ethyl benzene, biphenyl, n butyl benzene having Pow value ranging from 1.3 to 4.6. The Log Pow value was found to be 3.127± 0.001 at 25°C.
Based on the data obtained from various authoritative sources, the partition coefficient (log Pow) value of test chemical was determined to be 3.06 dimensionless.
Thus, based on the data obtained from the various sources, partition coefficient of test chemical ranges from 3.127 to 3.06 dimensionless.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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