Registration Dossier
Registration Dossier
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EC number: 211-661-1 | CAS number: 682-09-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009-04-07
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2,2-bis(allyloxymethyl)butan-1-ol
- EC Number:
- 211-661-1
- EC Name:
- 2,2-bis(allyloxymethyl)butan-1-ol
- Cas Number:
- 682-09-7
- Molecular formula:
- C12H22O3
- IUPAC Name:
- 2,2-bis[(prop-2-en-1-yloxy)methyl]butan-1-ol
- Details on test material:
- TMPDE
- Name of test material (as cited in study report): 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, diallyl ether (TMPDE)
- Substance type: organic
- Physical state: liquid
- Analytical purity: 81% GC-purity
- Composition of test material, percentage of components: 80.8% Trimethylolpropane diallylether (TMPDE), 13.5 % Trimethylolpropane monoallylether (TMPME), 5.1 % Trimethylolpropane triallylether (TMPTE)
- Lot/batch No.: 365 1011
- Stability under test conditions: good
- Storage condition of test material: room temperature
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3
- Temp.:
- 20 °C
Any other information on results incl. tables
Substance |
t0 |
Formamide |
2.16 |
Substance |
Cas-no |
log Pow |
tR |
Benzyl alcohol |
100-51-6 |
1.05 |
2.553 |
p-Cresol |
106-44-5 |
1.97 |
2.819 |
Diphenyl |
92-52-4 |
3.98 |
9.490 |
Phenantrene |
85-01-8 |
4.52 |
13.283 |
Dibenzyl |
103-29-7 |
4.79 |
15.644 |
Fluoranthene |
106-44-0 |
5.20 |
19.040 |
A linear regression coefficient was calculated using these references and the retention times of their peaks.
intercept |
2.933 |
slope |
2.333 |
corr. coeff. |
0.994 |
The Log Powof the tested substance was calculated from this. Duplicate determinations were made.
Results:
|
tR |
log Pow |
Injection 1 |
4.498 |
3.01 |
Injection 2 |
4.493 |
3.01 |
Applicant's summary and conclusion
- Conclusions:
- Log Pow: 3.0, n-Octanol/Water
- Executive summary:
Log Pow: 3.0
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