Registration Dossier
Registration Dossier
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EC number: 216-510-3 | CAS number: 1604-35-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3,7,11-trimethyldodecyn-3-ol
- EC Number:
- 216-510-3
- EC Name:
- 3,7,11-trimethyldodecyn-3-ol
- Cas Number:
- 1604-35-9
- Molecular formula:
- C15H28O
- IUPAC Name:
- 3,7,11-trimethyldodec-1-yn-3-ol
- Test material form:
- other: liquid
- Details on test material:
- Name of test material (as cited in study report): 3, 7, 11-trimethyldodecyn-3-ol
Analytical purity: Approximately 98.6 % (as given by the sponsor)
Lot/batch No.: 40637247GO
Expiration date of the lot/batch: Sep 30, 2011
Storage condition of test material: ambient temperature
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 23 °C
- pH:
- 6.4
Any other information on results incl. tables
Individual Results
Component |
tr[min] (mean value out of two determinations) |
ks |
log ks |
log Pow |
Formamide |
1.6 |
|
|
|
Ethylbenzoate |
4.4 |
1.69 |
0.227 |
2.6 |
Toluene |
5.2 |
2.19 |
0.340 |
2.7 |
Ethylbenzene |
6.7 |
3.09 |
0.490 |
3.2 |
Cumene |
8.5 |
4.15 |
0.618 |
3.7 |
n-Butylbenzene |
13.3 |
7.09 |
0.851 |
4.6 |
Bibenzyl |
11.3 |
5.91 |
0.771 |
4.8 |
DDT |
26.9 |
15.43 |
1.188 |
6.5 |
Test item |
18.5 |
10.26 |
1.011 |
5.6 |
Equation: log Pow = 4.1754 log ks + 1.3387
Result:
log Pow = 5.6 at T = 23 °C and pH = 6.4 (pH value of the water used for the preparation of the eluent).
Solubility in n-octanol
Additionally the solubility of the test item in n-octanol was visually tested. The test item is miscible with n-octanol at room temperature (T = 23 °C) and at T = 20.0 °C ± 0.5 °C in any ratio.
Theoretical value: log Pow = 5.21
(calculation of log Pow was done with EPIWIN (EPI Suite™ )-software, v. 4.10, Syracuse Research Corp., ©2000-2008 U.S. Environmental Protection Agency)
Applicant's summary and conclusion
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.
