Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Test procedure in accordance with EU-method A.8 and OECD guideline 117. Restrictions: no GLP study.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report Date:
2009

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Appearance at 20°C: Waxy solid
Saponification Number: 128-137 mg KOH/g
Transmittance (10% solution in Toluene): Min. 75% (at 425 nm); Min. 85% (at 450 nm)
Melting Point: >28°C
Ash: Max. 0.1%

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
40 °C
pH:
ca. 7

Any other information on results incl. tables

Calculation

1. Capacity factor

The capacity factor was determined using the following equotation:

k=tr-t0/t0 (Equotation 1)

where:

k = capacity factor

tr= retention time (min)

t0= dead time (min)

2. Results

2.1 Definitive test

Calibration

The retention times of water and the retention times, capacity factors (k) and log10POW values for the reference standards are shown in the following two tables:

 Dead time Mean retention time [min] 
water 1.934 

Standard Mean retention time [min]  Capacity factor [k]  Log10k  Log10POW 
Toluene  3.660  0.89245  -0.0494  2.7 
Naphthalene  4.698  1.42916  0.1550  3.6 
Biphenyl  5.182  1.67942  0.2252  4.0 
Lauric acid  5.441  1.81334  0.2585  4.2 
Dibenzyl  6.765  2.49793  0.3976  4.8 
Triphenylamine  7.971  3.12151  0.4944  5.7 

A calibration curve was constructed from the retention time data of the water and reference standard solutions (see attached full study report). The capacity factors (k) for th reference standards were calculated using Equotation 1 (see above). Log10POW values of the reference standards are those quoted in Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Partition coefficient of the sample

The retention times, capacity factors and log10POW values determined for the test sample are shown in the following table:

 Injection Retention time [min]  Capacity factor [k]  Log10 Log10POW 
>30  >14.5  >1.16  >6.5 out of range
>30  >14.5  >1.16  >6.5 out of range 

The HPLC method enables partition coefficients to be estimated in the log POW range 0 to 6.

2.2 Conclusion

- Log10POW: >6.5

- Partition coefficient: >3.16 x 106

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test material has been determined to be greater than log10POW > 6.5 (at 40°C and pH7)