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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02 April 2004 - 24 May 2004
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report date:
2004

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - 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:
5-methylresorcinol
EC Number:
207-984-2
EC Name:
5-methylresorcinol
Cas Number:
504-15-4
Molecular formula:
C7H8O2
IUPAC Name:
5-methylbenzene-1,3-diol
Constituent 2
Chemical structure
Reference substance name:
Resorcinol
EC Number:
203-585-2
EC Name:
Resorcinol
Cas Number:
108-46-3
Molecular formula:
C6H6O2
IUPAC Name:
benzene-1,3-diol
Constituent 3
Chemical structure
Reference substance name:
2,5-dimethylresorcinol
EC Number:
207-688-3
EC Name:
2,5-dimethylresorcinol
Cas Number:
488-87-9
Molecular formula:
C8H10O2
IUPAC Name:
2,5-dimethylbenzene-1,3-diol
Constituent 4
Chemical structure
Reference substance name:
2-methylresorcinol
EC Number:
210-155-8
EC Name:
2-methylresorcinol
Cas Number:
608-25-3
Molecular formula:
C7H8O2
IUPAC Name:
2-methylbenzene-1,3-diol
Constituent 5
Chemical structure
Reference substance name:
4-methylresorcinol
EC Number:
207-827-8
EC Name:
4-methylresorcinol
Cas Number:
496-73-1
Molecular formula:
C7H8O2
IUPAC Name:
4-methylbenzene-1,3-diol
Constituent 6
Chemical structure
Reference substance name:
4,5-dimethylbenzene-1,3-diol
EC Number:
610-895-5
Cas Number:
527-55-9
Molecular formula:
C8H10O2
IUPAC Name:
4,5-dimethylbenzene-1,3-diol
Constituent 7
Chemical structure
Reference substance name:
5-ethylbenzene-1,3-diol
Cas Number:
4299-72-3
Molecular formula:
C8H10O2
IUPAC Name:
5-ethylbenzene-1,3-diol
Constituent 8
Chemical structure
Reference substance name:
2-ethyl-5-methylbenzene-1,3-diol
Cas Number:
27465-63-0
Molecular formula:
C9H12O2
IUPAC Name:
2-ethyl-5-methylbenzene-1,3-diol
Constituent 9
Chemical structure
Reference substance name:
5-ethyl-2-methylbenzene-1,3-diol
Cas Number:
34745-52-3
Molecular formula:
C9H12O2
IUPAC Name:
5-ethyl-2-methylbenzene-1,3-diol
Constituent 10
Chemical structure
Reference substance name:
2,4,5-trimethylbenzene-1,3-diol
Cas Number:
20427-81-0
Molecular formula:
C9H12O2
IUPAC Name:
2,4,5-trimethylbenzene-1,3-diol
Constituent 11
Chemical structure
Reference substance name:
2,4-dimethylresorcinol
EC Number:
211-213-5
EC Name:
2,4-dimethylresorcinol
Cas Number:
634-65-1
Molecular formula:
C8H10O2
IUPAC Name:
2,4-dimethylbenzene-1,3-diol
Constituent 12
Chemical structure
Reference substance name:
Phenol
EC Number:
203-632-7
EC Name:
Phenol
Cas Number:
108-95-2
Molecular formula:
C6H6O
IUPAC Name:
phenol
Constituent 13
Chemical structure
Reference substance name:
Cresol
EC Number:
215-293-2
EC Name:
Cresol
Cas Number:
1319-77-3
Molecular formula:
C7H8O
IUPAC Name:
cresol
Constituent 14
Reference substance name:
not applicable
Molecular formula:
not applicable
IUPAC Name:
not applicable
Test material form:
liquid
Details on test material:
Sponsor's identification: Total shale oil phenols
Description: dark brown extremely viscous liquiy
Batch number: Part No. 3
Date received: 30 January 2004
Storage conditions: room temperature, in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
<= 1.6
Temp.:
40 °C
pH:
ca. 7

Applicant's summary and conclusion

Executive summary:

Determined using the HPLC method, Method A8 of Commission Directive 92/69/EEC, the results are as follows:

 

% of Test Material (by area)

POW

Log10POW

61.6

<2.00

<0.3

38.4

5.77 to 39.8

0.761 to 1.60