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EC number: 500-099-5 | CAS number: 37625-56-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009-08-28
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
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:
- ε-Caprolactone, oligomeric reaction products with propylidynetrimethanol
- EC Number:
- 500-099-5
- EC Name:
- ε-Caprolactone, oligomeric reaction products with propylidynetrimethanol
- Cas Number:
- 37625-56-2
- Molecular formula:
- (C6H14O3)x.C6H10O2 (x=0-6)
- IUPAC Name:
- 2-Oxepanone, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
- Details on test material:
- - Substance type: organic
- Physical state: liquid
- Analytical purity:
Composition of the substance
GC-area distribution (%)
TMP 2.1 %
TMP-1ECL 9.2 %
TMP-2ECL 17.8 %
TMP-3ECL 22.3 %
TMP-4ECL 21.7 %
TMP-5ECL 18.5 %
TMP-6ECL 8.5 %
- Lot/batch No.: WNI 675 3/3/09
- 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:
- ca. 2.4
- Temp.:
- 25 °C
- pH:
- 4.2
- Details on results:
- Weighted average logPow 2.4
Any other information on results incl. tables
|
tR,min |
Area % |
log Pow |
Weighted average log Pow,peaks > 5 % |
Injection 1 |
2.50 |
22.6 |
1.14 |
2.36 |
|
2.78 |
9.7 |
1.77 |
|
|
3.04 |
7.8 |
2.15 |
|
|
3.53 |
15.2 |
2.64 |
|
|
4.02 |
5.1 |
2.99 |
|
|
4.43 |
2.7 |
3.21 |
|
|
4.83 |
12.2 |
3.39 |
|
|
5.78 |
2.3 |
3.74 |
|
|
7.12 |
8.5 |
4.10 |
|
|
8.93 |
1.0 |
4.45 |
|
|
9.87 |
2.6 |
4.60 |
|
|
11.20 |
4.7 |
4.79 |
|
|
11.73 |
0.8 |
4.85 |
|
|
14.47 |
0.3 |
5.14 |
|
|
15.92 |
1.9 |
5.27 |
|
|
18.38 |
2.5 |
5.46 |
|
Injection 2 |
2.50 |
23.8 |
1.13 |
2.36 |
|
2.78 |
9.7 |
1.78 |
|
|
3.04 |
7.8 |
2.15 |
|
|
3.53 |
15.4 |
2.64 |
|
|
4.02 |
5.3 |
2.99 |
|
|
4.43 |
2.8 |
3.21 |
|
|
4.83 |
12.1 |
3.39 |
|
|
5.78 |
2.3 |
3.74 |
|
|
7.12 |
8.4 |
4.10 |
|
|
8.94 |
1.0 |
4.46 |
|
|
9.87 |
2.3 |
4.60 |
|
|
11.20 |
4.5 |
4.79 |
|
|
11.76 |
0.6 |
4.85 |
|
|
14.45 |
0.5 |
5.14 |
|
|
15.94 |
1.4 |
5.27 |
|
|
18.39 |
2.3 |
5.46 |
|
Average value |
|
|
|
2.36 |
Applicant's summary and conclusion
- Conclusions:
- Weighted average log Pow: 2.4 at 25 °C
- Executive summary:
Weighted average log Pow: 2.4 at 25 °C
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