Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
Additionally the solubility in n-octanol was tested
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:
8-(benzoyloxy)naphthalen-1-yl benzoate
EC Number:
810-797-4
Cas Number:
331711-99-0
Molecular formula:
C24 H16 O4
IUPAC Name:
8-(benzoyloxy)naphthalen-1-yl benzoate
Constituent 2
Reference substance name:
Thane 003-6
IUPAC Name:
Thane 003-6
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
Name of test material (as cited in study report): 1,8-Naphthalenediol , 1,8-dibenzoate
Physical state: solid
Analytical purity: 99.0 g / 100 g via 1H-NMR spectroscopy
Lot/batch No.: CHPC021814NDB
Expiration date of the lot/batch: Jul29, 2014
Storage condition of test material: Room temperature, protected from moisture

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
4.1
Temp.:
23 °C
pH:
6.1

Any other information on results incl. tables

Individual Results

Component

tr[min]

(mean value out of two determinations)

ks

log ks

log Pow

Formamide

1.5

 

 

 

Ethylbenzoate

4.3

1.82

0.259

2.6

Toluene

5.1

2.36

0.372

2.7

Ethylbenzene

6.5

3.33

0.522

3.2

Cumene

8.3

4.46

0.650

3.7

n-Butylbenzene

13.0

7.60

0.881

4.6

Bibenzyl

11.1

6.34

0.802

4.8

DDT

26.5

16.52

1.218

6.5

Test item

8.9

4.91

0.691

4.1

Equation: log P ow = 4.1880 log k' + 1.1997

Result

log P ow = 4.1 at T = 23 °C and pH = 6.1 (pH value of the water used for the preparation of the eluent).

Solubillty in n-octanol

Additionally the solubility of the test item in n-octanol was visuallytested. The n-octanol solubility of the test item is > 0.1 g/l < 1 g/L.

Applicant's summary and conclusion