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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 211-536-1 | CAS number: 659-70-1
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:
- 2009-02-09 to 2009-02-20
- 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)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- issued in 23 June 2008
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.8
- Temp.:
- 35 °C
- Remarks on result:
- other: pH not determined
- Details on results:
- The equation for the calibration graph was obtained by linear regression of the log POW of the reference items against the log k of the reference items.
- Conclusions:
- The average retention time of the test substance is 7.82 minutes, corresponding to a partition coefficient n-octanol/water of the test item of log Pow = 3.8
- Executive summary:
The test item has a partition coefficient of 3.8 at 35°C as determined by HPLC according to Regulation EC No. 440/2008 Method A.8. and OECD Test Guideline 117 (2004).
Reference
Table 1.Calibration Data of the Reference Items
Reference substance |
Log Pow |
tR1 |
tR2 |
tRm |
k |
log k |
Thiourea |
Dead time |
2.231 |
2.229 |
2.23 |
|
|
Benzylalcohol
|
1.1
|
2.702 |
2.699 |
2.70 |
0.211 |
-0.676 |
Bencene |
2.1 |
3.874 |
3.871 |
3.87 |
0.737 |
-0.133 |
Toluene |
2.7 |
4.780 |
4.768 |
4.77 |
1.141 |
0.057 |
1,4 Dichlorobencene |
3.4 |
5.854 |
5.842 |
5.85 |
1.622 |
0.210 |
Cumene |
3.7 |
6.994 |
6.991 |
6.99 |
2.136 |
0.330 |
1,2,4 Trichlorobencene |
4.2 |
8.662 |
8.657 |
8.66 |
2.883 |
0.460 |
tR1, tR2, tRM = retention times (1. measurement, 2. measurement, avaerage)
capacity factor = k = (tR/t0)-1
t0 = dead time (retention time of thiourea)
The linear regression obtained for the plot of log Pow versus log k (capacity factor) for the reference substances was:
log Pow = 2.7492 k + 2.7529, with a correlation coefficient r2 = 0.9838.
Table 2. Retention Times, Capacity Factor and Partition Coefficient of the test item
tR1 |
tR2 |
tRm |
k |
log k |
Log Pow |
|
test item |
7.814 |
7.816 |
7.82 |
2.5045 |
0.399 |
3.8 |
Description of key information
Partition coefficient: Log Kow = 3.8 at 35°C; by HPLC
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.8
- at the temperature of:
- 35 °C
Additional information
The test item has a partition coefficient of 3.8 at 35°C as determined by HPLC under GLP in accordance with EC No. 440/2008 Method A.8. and OECD Test Guideline 117 (2004).
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.
