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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 618-829-7 | CAS number: 922165-31-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 March-27 June 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP compliant study according to guideline
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (2004)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (OJEU no. L142, May 31, 2008)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1,4-bis[2-(2-ethoxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate
- EC Number:
- 618-829-7
- Cas Number:
- 922165-31-9
- Molecular formula:
- C20H36O8
- IUPAC Name:
- 1,4-bis[2-(2-ethoxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate
- Details on test material:
- Identification: Neosolue-Aqulio
Molecular formula: C20H36O8
Molecular weight: 404.5
CAS Number: 922165-31-9
Description: Clear colourless to very pale yellow liquid
Batch: TVI-714
Purity: 99.5% (GC)
Test substance storage: At room temperature in the dark
Stability under storage conditions: Stable
Expiry date: 07 October 2012 (Retest date)
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 2.4
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: neutral pH; Component I; peak area = 33%
- Type:
- log Pow
- Partition coefficient:
- 2.5
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: neutral pH; Component II; peak area = 62%
- Type:
- log Pow
- Partition coefficient:
- 2.8
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: neutral pH; Component III; peak area = 4.2%
- Details on results:
- Under the conditions of the test, the chromatograms of the test substance showed three peaks. The identity of the components responsible for the response in the HPLC-UV has not been determined.
Any other information on results incl. tables
The results of the HPLC method are given in the Table below. The equation of the regression line (log k’ of the reference substances as function of log Pow.) was: log k’ = 0.497xlog Pow– 0.656 (r = 0.996, n = 14).
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
Area |
Formamide (t0) |
1.128 |
1.127 |
1.128 |
|
|
|
Benzylalcohol |
1.896 |
1.896 |
|
1.1 |
|
|
Nitrobenzene |
3.356 |
3.355 |
|
1.9 |
|
|
Toluene |
7.831 |
7.830 |
|
2.7 |
|
|
Bromobenzene |
9.181 |
9.181 |
|
3.0 |
|
|
1,4-Dichlorobenzene |
13.744 |
13.744 |
|
3.4 |
|
|
Biphenyl |
24.344 |
24.343 |
|
4.0 |
|
|
1,2,4-Trichlorobenzene |
28.231 |
28.229 |
|
4.2 |
|
|
|
|
|
|
|
|
|
NS203029-Peak 1 |
5.133 |
5.131 |
5.132 |
2.4 |
2.7´102 |
33 |
NS203029-Peak 2 |
5.416 |
5.414 |
5.415 |
2.5 |
3.1´102 |
62 |
NS203029-Peak 3 |
7.387 |
7.384 |
7.386 |
2.8 |
6.6´102 |
4.2 |
Applicant's summary and conclusion
- Conclusions:
- The Pow and log Pow values of the test substance at neutral pH were determined using the HPLC method. Under the chosen condition, three peaks were observed in the chromatogram:
Peak 1: Pow = 2.7 x 10^2, log Pow = 2.4 (peak area%: 33)
Peak 2: Pow = 3.1 x 10^2, log Pow = 2.5 (peak area%: 62)
Peak 3: Pow = 6.6 x 10^2, log Pow = 2.8 (peak area%: 4.2)
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.
