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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
16 August and 28 September 1995
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: done under GLP and OECD method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1997
Report Date:
1997

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Directive 92/69/EEC, Method A8
Principles of method if other than guideline:
Test temperature: 20°c ± 0.5°C.

Test 1: aqueous stock solution (10 ml) and octanol saturated with water (50 ml) were combined in an 8 oz screw-capped glass jar and shaken mechanically for 15 minutes. The test was performed in duplicate.

Test 2: as for test 1 except that aqueous stock solution (20 ml) was used. Test 3: as for test 1 except that aqueous stock solution (40 ml) was used.
: 30 :


Blank test: as for test 2 except that water saturated with octanol was used in place of the aqueous stock solution. The blank was performed in duplicate.
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Details on test material:
Identity: UK-143,108
Chemical name: 2-Ethoxy-5-(4-methyl-1- piperazinesulphonyl)benzoic acid
Expiry: 19 November 1995
Purity: 99.6% (excluding organic solvents)
Appearance: White to off white crystalline solid
Storage conditions: Dark at room temperature
Date received: 19 May 1995

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-2.37
Temp.:
20 °C
Remarks on result:
other: ± 0.1
Details on results:
The concentration of test substance in the aqueous stock solution was determined as 2950.0 /Lg/ml (mean of individual determinations 2986.0 and 2913.9 /Lg/ml).

Concentration of test substance based on mass of test substance used was 3034.0 /Lg/ml.

The aqueous phase concentrations ranged from 2651.8 - 3116.7 /Lg/ml with pH values of 5.45 - 5.75. The organic phase concentrations ranged from 10.100 - 13.209 J.Lg/ml.

Any other information on results incl. tables

 

 

Test

Concentrationoftestsubstanceinorganicphase (µg/ml)

Concentrationoftestsubstanceinaqueousphase(µg/ml)

 

 

p

 

MeanPforeach test

 

 

MeanPforalldeterminations

 

 

Logp

 

lA1B

 

2A

2B

 

3A

3B

10.100

11.968

 

12.324

12.749

 

13.209

12.932

2651.8

2786.2

 

3116.7

2876.5

 

2682.4

2994.8

0.0038087

0.0042955

 

0.0039542

0.0044321

 

0.0049243

0.0043182

 

0.0040521

 

 

0.0041932

 

 

0.0046213

 

 

 

 

 

0.0042888

-2.42

-2.37

 

-2.40

-2.35

 

-2.31

-2.36

Applicant's summary and conclusion

Conclusions:
The partition coefficient (n-octanol/water) of UK-143,108 has been determined as:

Log P = -2.37 at 20°c