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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental starting date: 12 January 2018 Experimental completion date: 08 March 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
β,β-carotene
EC Number:
230-636-6
EC Name:
β,β-carotene
Cas Number:
7235-40-7
Molecular formula:
C40H56
IUPAC Name:
β,β-carotene
Details on test material:
Identification: Beta-Carotene
Appearance/Physical state: brown-red crystalline powder
Lot No: WC01607211
Purity: 100.4% by UV Assay (USP 851)
97.4% by LC Method (USP 621)
Expiry date: 19 July 2018
Storage conditions: Approx. 4 °C, in the dark, under nitrogen

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
40 °C
pH:
6.5
Type:
Pow
Partition coefficient:
> 3 160 000
Temp.:
40 °C
pH:
6.5

Any other information on results incl. tables

 PreliminaryEstimate

 

The log10 Pow was calculated to be:   17.62

Definitive Test

  

Calibration

The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in the following table:

 

 

Standard

Retention Time (min)

CapacityFactor (k')

 

Log10k'

 

Log10Pow

Injection 1

Injection 2

Mean

Thiourea (dead time)

1.691

1.691

1.691

-

-

-

Benzene

4.101

4.096

4.099

1.42

0.153

2.1

Toluene

5.389

5.379

5.384

2.18

0.339

2.7

Naphthalene

6.720

6.701

6.710

2.97

0.473

3.6

Phenanthrene

12.109

12.070

12.089

6.15

0.789

4.5

Triphenylamine

29.538

29.397

29.468

16.4

1.22

5.7

DDT

41.438

41.317

41.378

23.5

1.37

6.5

The calibration curve from which the sample results were taken from is shown in the Figures section.


 

 

Partition coefficient of sample

The retention times, capacity factor and log10Powvalue determined for the sample are shown in the following table:

 

 

Injection

Retention Time (min)

Capacity Factor (k')

Log10k'

Log10Pow

Mean Log10Pow

1

55.802

>23.5

>1.37

>6.5

>6.5

2

55.802

>23.5

>1.37

>6.5

Mean log10Pow:  > 6.5

Mean partition coefficient:  > 3.16 x 106

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item has been determined to be greater than 3.16 x 10^6, and with a log10 Pow >6.5.
Executive summary:

Partition Coefficient.Greater than 3.16 x 106, log10 Pow>6.5, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.