Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 230-072-0 | CAS number: 6938-94-9
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:
- Experimental test result performed using standard test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Principles of method if other than guideline:
- To determine octanol water partition coefficient of test chemical by 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:
- 3.389
- Temp.:
- 25 °C
- Remarks on result:
- other: test chemical is hydrophilic nature
- Conclusions:
- The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.389 dimensionless at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substances were having Pow value ranging from 2,3-Dichloroaniline, Benzophenone, 1,4-Dichlorobenzene, Naphthalene, Benzyl Benzoate, 1,2,4 - Trichlorobenzene, and n - Butylbenzene were chosen having log Pow range from 2.8 to 4.6 .The Log Pow value was determined to be 3.389 ± 0.006 dimensionless at 25°C.
This value indicates that the substance is hydrophilic in nature.
Reference
Table:1
Reference substance |
Log Pow |
tR1 |
tR2 |
tR3 |
MeantR± S.D. |
k |
Log k |
Formamide |
- |
0.977 |
0.922 |
0.922
|
0.9403±0.031 |
- |
- |
2,3-Dichloroaniline |
2.8 |
1.619 |
1.629 |
- |
1.624±0.007 |
0.721 |
-0.138 |
Benzophenone |
3.2 |
1.974 |
1.979 |
- |
1.976±0.004 |
1.101 |
0.0421 |
1,4-Dichlorobenzene |
3.4 |
2.57 |
2.572 |
- |
2.571±0.001 |
1.734 |
0.239 |
Naphthalene |
3.6 |
2.388 |
2.393 |
- |
2.390±0.004 |
1.542 |
0.188 |
Benzyl Benzoate |
4 |
2.465 |
2.471 |
- |
2.468±0.004 |
1.624 |
0.21 |
1,2,4-Trichlorobenzene |
4.2 |
3.502 |
3.492 |
- |
3.497±0.007 |
2.719 |
0.434 |
n-Butylbenzene |
4.6 |
4.454 |
4.463 |
- |
4.458±0.006 |
3.741 |
0.572 |
Table: 2
Test substance |
K |
Log k |
Log Pow by Generalized Calibration Graph |
Mean of Log Pow± S.D. |
|
tR1 |
2.126 |
1.262 |
0.101 |
3.385 |
3.389 ± 0.006 |
tR2 |
2.136 |
1.272 |
0.105 |
3.394 |
|
Description of key information
The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substances were having Pow value ranging from 2,3-Dichloroaniline, Benzophenone, 1,4-Dichlorobenzene, Naphthalene, Benzyl Benzoate, 1,2,4 - Trichlorobenzene, and n - Butylbenzene were chosen having log Pow range from 2.8 to 4.6.The Log Pow value was determined to be3.389 ± 0.006dimensionless at 25°C.
This value indicates that the substance is hydrophilic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.389
- at the temperature of:
- 25 °C
Additional information
The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substances were having Pow value ranging from 2,3-Dichloroaniline, Benzophenone, 1,4-Dichlorobenzene, Naphthalene, Benzyl Benzoate, 1,2,4 - Trichlorobenzene, and n - Butylbenzene were chosen having log Pow range from 2.8 to 4.6.The Log Pow value was determined to be 3.389 ± 0.00 6dimensionless at 25°C.
This value indicates that the substance is hydrophilic in nature.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
