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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 700-118-9 | CAS number: 676532-44-8
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:
- November 2008 to February 2009
- 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)
- Version / remarks:
- 2004
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Inspected on 17-18 March 2008; Signed on 23 June 2008
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: Givaudan Suisse SA / LDP0800001
- Expiration date of the lot/batch: 01 May 2010
- Physical appearance: Colourless liquid - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 35 °C
- Remarks on result:
- other: pH not specified
- Conclusions:
- The Partition Coefficient n-octanol/water of test item was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117, EU Method A.8 (Partition Coefficient - HPLC Method) and EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography). The average retention time of test item is 8.36 minutes, corresponding to a partition coefficient (log value) of 4.4. Therefore, Partition coefficient n-octanol/water of test item is log Pow = 4.4.
- Executive summary:
The Partition Coefficient n-octanol/water of test item was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117, EU Method A.8 (Partition Coefficient - HPLC Method) and EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography).
Partition coefficient n-octanol/water of test item is Log Pow = 4.4.
Reference
Table 4.7/1: Partition coefficient determination by reverse-phase HPLC
|
Log Pow |
tR1 |
tR2 |
tRm |
k |
log k |
References substance |
|
|
|
|
|
|
Thiourea |
|
2.123 |
2.123 |
2.12 |
|
|
Benzyl alcohol |
1.1 |
2.426 |
2.423 |
2.42 |
0.142 |
-0.848 |
Benzene |
2.1 |
3.314 |
3.310 |
3.31 |
0.560 |
-0.252 |
Toluene |
2.7 |
4.002 |
3.996 |
4.00 |
0.884 |
0.054 |
1,4-Dichlorobenzene |
3.4 |
4.819 |
4.812 |
4.82 |
1.268 |
0.103 |
Cumene |
3.7 |
5.655 |
5.646 |
5.65 |
1.662 |
0.221 |
1,2,4-trichlorobenzene |
4.2 |
6.977 |
6.963 |
6.97 |
2.283 |
0.359 |
Fluoranthene |
5.1 |
11.663 |
11.631 |
11.65 |
4.486 |
0.652 |
Test item |
4.4 |
8.373 |
8.353 |
8.36 |
2.9392 |
0.4682 |
tR1, tR2, tRm: retention times (1rst measurement, 2nd measurement, average)
k = (tR/t0)-1: capacity factor, t0: "dead time", i.e. retention time of thiourea
Linear regression parameters: log Pow = a * log k + b
Correlation coefficient r = 0.9849 a = 2.7385 b = 3.1149
Description of key information
The log Partition coefficient (log Pow) of test item was determined to be 4.4 by HPLC method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.4
- at the temperature of:
- 35 °C
Additional information
A reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study.
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.
