Registration Dossier
Registration Dossier
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EC number: 904-155-3 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012-05
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
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:
- Propylidynetrimethanol
- EC Number:
- 201-074-9
- EC Name:
- Propylidynetrimethanol
- Cas Number:
- 77-99-6
- Molecular formula:
- C6H14O3
- IUPAC Name:
- 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
- Reference substance name:
- 2,2'-[methylenebis(oxymethylene)]bis[2-ethylpropane-1,3-diol]
- EC Number:
- 301-304-9
- EC Name:
- 2,2'-[methylenebis(oxymethylene)]bis[2-ethylpropane-1,3-diol]
- Cas Number:
- 93983-16-5
- Molecular formula:
- C13H28O6
- IUPAC Name:
- 2,2'-[methylenebis(oxymethylene)]bis(2-ethylpropane-1,3-diol)
- Reference substance name:
- 2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol]
- EC Number:
- 245-509-0
- EC Name:
- 2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol]
- Cas Number:
- 23235-61-2
- Molecular formula:
- C12H26O5
- IUPAC Name:
- 2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)
- Test material form:
- solid
- Details on test material:
- Name of test material (as cited in study report): Reaction mass consisting of Trimethylolpropaneformal, Di-trimethylolpropane, Trimethylolpropane
- Substance type: organic
- Physical state: Solid
- Analytical purity: Mixture(GC purity %)
Trimethylolpropaneformal 29 %, Di-trimethylolpropane 28 % , Trimethylolpropane 12 % , Sodium formate 6.9 % , Unknown formal 2.5 %, Other unknowns 9 %
Lot/batch No: 251140-1
- Stability under test conditions: good
- Storage condition of test material: room temperature
Constituent 1
Constituent 2
Constituent 3
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 1.1
- Temp.:
- 25 °C
- Remarks on result:
- other: Weighted average for product
- Type:
- log Pow
- Partition coefficient:
- -0.3
- Temp.:
- 25 °C
- Remarks on result:
- other: TMP, component in product
- Type:
- log Pow
- Partition coefficient:
- 1.38
- Temp.:
- 25 °C
- Remarks on result:
- other: TMF, component in product
- Type:
- log Pow
- Partition coefficient:
- 1.45
- Temp.:
- 25 °C
- Remarks on result:
- other: di-TMP, component in product
Any other information on results incl. tables
Value (Log Pow): Components
Component |
Area% |
log Pow |
TMP |
16 |
-0.30 |
TMF |
39 |
1.38 |
di-TMP |
37 |
1.45 |
The Log Powof the tested substance was calculated from this. Duplicate determinations were made.
Results:
|
tR,min |
Component |
Area % |
log Pow |
Weighted average log Pow,peaks > 5 % |
Injection 1 |
2.76 |
TMP |
16.0 |
-0.30 |
1.11 |
|
3.31 |
|
1.2 |
0.09 |
|
|
13.85 |
TMF |
38.6 |
1.38 |
|
|
15.46 |
di-TMP |
37.2 |
1.44 |
|
|
17.45 |
|
1.1 |
1.52 |
|
|
18.73 |
|
3.1 |
1.56 |
|
|
21.08 |
|
0.5 |
1.63 |
|
|
22.43 |
|
0.1 |
1.67 |
|
|
24.73 |
|
0.9 |
1.73 |
|
|
26.61 |
|
0.1 |
1.77 |
|
|
29.29 |
|
0.4 |
1.83 |
|
|
45.43 |
|
0.7 |
2.08 |
|
Injection 2 |
2.76 |
TMP |
16.3 |
-0.30 |
1.11 |
|
3.31 |
|
1.1 |
0.10 |
|
|
14.05 |
TMF |
38.5 |
1.38 |
|
|
15.64 |
di-TMP |
37.4 |
1.45 |
|
|
17.59 |
|
1.1 |
1.52 |
|
|
18.76 |
|
3.0 |
1.56 |
|
|
21.11 |
|
0.5 |
1.63 |
|
|
22.51 |
|
0.1 |
1.67 |
|
|
24.67 |
|
1.0 |
1.73 |
|
|
26.52 |
|
0.3 |
1.77 |
|
|
29.24 |
|
0.2 |
1.83 |
|
|
45.60 |
|
0.4 |
2.08 |
|
Average value |
|
|
|
|
1.11 |
Applicant's summary and conclusion
- Conclusions:
- Weighted average of logPow is 1.1 at 25°C
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