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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:
2015
Reliability:
1 (reliable without restriction)

Data source

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

Materials and methods

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

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: liquid
Details on test material:
Batch VE00103699
Purity 98.9%
Expiration date January 21, 2016

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
4.3
Temp.:
25 °C
pH:
7
Type:
log Pow
Partition coefficient:
4.2
Temp.:
35 °C
pH:
7

Any other information on results incl. tables

In the condidtions of the test, the chromatograms of Cassyrane show two peaks at the average retention times

of 10.62 minutes (47% relative peak area), corresponding to a partition coefficient (log value) of 4.2 and 11.15

minutes (53.0% relative peak area) , corresponding to a partition coefficient (log value) of 4.3.

REFERENCE SUBSTANCES

log Pow

tR1

tR2

tRm

k

log k

Thiourea

  

2.093

2.093

2.09

 

 

Benzyl alcohol

1.1

2.565

2.565

2.57

0.226

-0.647

Benzene

2.1

3.835

3.835

3.84

0.832

-0.080

Toluene

2.7

4.860

4.861

4.86

1.322

0.121

1,4-Dichlorbenzene

3.4

6.081

6.082

6.08

1.906

0.280

Cumene

3.7

7.460

7.462

7.46

2.565

0.409

Phenanthren

4.5

11.359

11.362

11.36

4.428

0.646

Applicant's summary and conclusion

Conclusions:
Partition Coefficients n-octanol/water of Cassyrane: Log Pow=4.2 and 4.3.
The results of this study clearly demonstrate that the retention time of the two Peaks of CASSYRANE are less than that of the reference substance Penanthrene, which has a certified logPow of 4.5. The logPow value for Peak 1 and Peak 2 of CASSYRANE are, respectively, 4.2 and 4.3.