Registration Dossier

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:
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
Name:
Unnamed
Type:
Constituent
Details on test material:
Name of test material (as cited in study report): Capa™ 2043
- Substance type: organic
- Physical state: Liquid
- Analytical purity: Mixture(GC purity) 1,4-butandiol 1.7 % , 1,4-butandiol -1ECL 11.1 %, 1,4-butandiol -2ECL 21.6 %, 1,4-butandiol -3ECL 24.8 %, 1,4-butandiol -4ECL 20.6 %, 1,4-butandiol -5ECL 12.9 %, 1,4-butandiol -6ECL 5.9 %, 1,4-butandiol -7ECL 1.6 %
- Lot/batch No: WNI 342 27/1/09 WAC000378
- Stability under test conditions: good
- Storage condition of test material: room temperature

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.5
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.

 

intercept

3.12

slope

2.64

corr. coeff.

0.995

 

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

2.540

26.4

1.259

2.53

 

3.060

24.7

2.183

 

 

4.010

21.7

2.985

 

 

5.740

14.6

3.730

 

 

8.820

7.9

4.437

 

 

14.250

3.2

5.118

 

 

23.790

1.6

5.783

 

Injection 2

2.540

26.7

1.259

2.54

 

3.070

23.5

2.196

 

 

4.020

22.1

2.991

 

 

5.750

14.8

3.734

 

 

8.840

8.0

4.440

 

 

14.290

3.6

5.122

 

 

23.880

1.3

5.788

 

 

2.540

26.4

1.259

 

Average value

 

 

 

2.54

       

Applicant's summary and conclusion

Conclusions:
Weighted average logPow 2.5
Executive summary:

Weighted average logPow2.5