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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 201-004-7 | CAS number: 77-09-8
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:
- from 2010.01.26 to 2010-05-26
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- 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:
- 0.9
- Temp.:
- 25 °C
- pH:
- 6.6
- Conclusions:
- The log Pow of the test item was determined to be 0.9 at a pH of 6.6.
- Executive summary:
A study was conducted to determine the log Pow of the test item according to the HPLC method described in OECD Guideline No. 117 and EU Regulation No. 440/2008. The log Pow of the test item was determined to be 0.9 at a pH of 6.6.
Reference
Dead time marker |
1. Inj. tRin min |
2. Inj. tRin min |
mean tRin min |
|
|
|
Formamide |
2.66 |
2.66 |
2.66 |
|
|
|
Calibration substance |
1. Inj. tRin min |
2. Inj. tRin min |
mean tRin min |
k |
log k |
log Pow |
2-Butanone |
3.30 |
3.30 |
3.30 |
0.24 |
-0.62 |
0.3 |
Acetanilide |
3.45 |
3.45 |
3.45 |
0.30 |
-0.53 |
1.0 |
Cinnamyl alcohol |
4.22 |
4.22 |
4.22 |
0.58 |
-0.23 |
1.9 |
2,6-Dichlorobenzonitrile |
5.99 |
5.98 |
5.99 |
1.25 |
0.10 |
2.6 |
Allyl phenyl ether |
8.43 |
8.42 |
8.42 |
2.16 |
0.34 |
2.9 |
Benzophenone |
7.56 |
7.55 |
7.55 |
1.84 |
0.26 |
3.2 |
Cumene |
15.65 |
15.63 |
15.64 |
4.87 |
0.69 |
3.7 |
Diphenyl ether |
14.63 |
14.62 |
14.63 |
4.49 |
0.65 |
4.2 |
Fluoranthene |
39.59 |
39.59 |
39.59 |
13.87 |
1.14 |
5.1 |
4,4' DDT |
67.24 |
67.29 |
67.27 |
24.26 |
1.38 |
6.5 |
Regression: log Pow= a + b x log k
Parameters: a = 2.27, b = 2.75, r² = 0.9738
|
1. Inj. tRin min |
2. Inj. tRin min |
mean tRin min |
k |
log k |
log Pow |
Test item |
3.49 |
3.49 |
3.49 |
0.31 |
-0.51 |
0.9 |
The test item is used as an acid or base indicator. In contact with acid it will turn colourless (uncharged) and with base (double charged), it will turn into a violet color. Below a pH-value of about 7.5 the test item molecule exists in its uncharged form. This uncharged form is also present in the experiments of the partition coefficient as the pH value of the mobile phase is around 6.6.
The log Pow of the test item was determined to be 0.9 at a pH of 6.6.
Description of key information
The log Pow of the test item was determined to be 0.9 at a pH of 6.6 (reference 4.7-1).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.9
- at the temperature of:
- 25 °C
Additional information
A study was conducted to determine the log Pow of the test item according to the HPLC method described in OECD Guideline No. 117 and EU Regulation No. 440/2008. The log Pow of the test item was determined to be 0.9 at a pH of 6.6.
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.
