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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:
study report
Title:
Unnamed
Year:
2012

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

Test material

Constituent 1
Chemical structure
Reference substance name:
2-Oxepanone, polymer with 1,6-hexanediol
EC Number:
609-271-5
Cas Number:
36609-29-7
Molecular formula:
l(HO(CH2)5CO)-O(CH2)6O-(CO(CH2)5OH)m
IUPAC Name:
2-Oxepanone, polymer with 1,6-hexanediol
Details on test material:
Name of test material (as cited in study report): Capa 2047A, (2-Oxepanone, polymer with 1,6-hexanediol)
- Substance type: organic
- Physical state: Liquid
- Analytical purity: Mixture(GC purity %)
1,6-hexanediol; 2.3 %
1,6-hexanediol -1ECL; 13.4 %
1,6-hexanediol -2ECL; 22.9 %
1,6-hexanediol -3ECL; 23.4 %
1,6-hexanediol -4ECL ; 17.3 %
1,6-hexanediol -5ECL; 14.3 %
1,6-hexanediol -6ECL; 5.4 %
1,6-hexanediol -7ECL; 1.0 %-
Lot/batch No: WNI 14 29/9/07, WAN 000058
- Stability under test conditions: good
- Storage condition of test material: room temperature

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.8
Temp.:
25 °C
Remarks on result:
other: Weighted average logPow

Any other information on results incl. tables

Substance

log Pow

tR

Benzyl alcohol

1.05

2.43

1-oktanol

3.07

4.60

Phenantrene

4.52

10.31

Dibenzyl

4.79

11.76

Fluoranthene

5.20

14.35

Triphenylamine

5.74

19.26

A linear regression coefficient was calculated using these references and the retention times of their peaks.

The Log Powof the tested substance was calculated from this. Duplicate determinations were made.

 

tR,min

Area %

log Pow

Weighted average log Pow,peaks > 5 %

Injection 1

2.466

20.8

1.037

2.79

 

2.990

19.8

2.095

 

 

3.989

24.4

2.972

 

 

5.779

18.7

3.743

 

 

8.633

1.3

4.404

 

 

8.964

10.3

4.461

 

 

14.622

4.6

5.152

 

 

24.622

2.1

5.827

 

Injection 2

2.467

20.4

1.040

2.79

 

2.990

21.3

2.095

 

 

3.990

23.9

2.973

 

 

5.781

18.1

3.743

 

 

8.534

0.9

4.387

 

 

8.969

9.8

4.462

 

 

14.033

0.4

5.097

 

 

14.635

5.2

5.154

 

 

24.575

2.1

5.824

 

Average value

 

 

 

2.79

Applicant's summary and conclusion

Conclusions:
Weighted average log Pow 2.8
Executive summary:

Weighted average log Pow 2.8

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