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Diss Factsheets

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:
2009

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

Constituent 1
Chemical structure
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

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