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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
July, 2013.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008.
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Remarks:
HPLC - Refractive Index Detection
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
GR-50-1408 is the Givaudan identification code which was employed for ROSYFOLIA during the early, developmental and testing period.
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
3.9
Temp.:
35 °C
pH:
7
Remarks on result:
other: LogPow = 3.9 for minor component (representing 6.0% of surface area).
Remarks:
The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Type:
log Pow
Partition coefficient:
3.2
Temp.:
35 °C
pH:
7
Remarks on result:
other: LogPow 3.2 for minor peak (representing 3.7% of relative area).
Remarks:
The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Key result
Type:
log Pow
Partition coefficient:
3.5
Temp.:
35 °C
pH:
7
Remarks on result:
other: LogPow = 3.5 for main peak (90.3% of relative area).
Remarks:
The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

 

 

tR

k

log k

log Pow

Peak 1

tR1

5.294

1.6805

0.2254

3.2

Peak 1

tR2

5.299

1.6830

0.2261

3.2

Peak 1

tRm

5.297

1.6818

0.2258

3.2

Peak 2

tR1

6.353

2.2167

0.3457

3.5

Peak 2

tR2

6.359

2.2197

0.3463

3.5

Peak 2

tRm

6.356

2.2182

0.3460

3.5

Peak 3

tR1

8.188

3.1458

0.4977

3.9

Peak 3

tR2

8.195

3.1494

0.4982

3.9

Peak 3

tRm

8.192

3.1476

0.4980

3.9

 

aR1

aR2

aRm

 

 

 

Peak 1

48025.73

42310.25

3.7

 

 

 

Peak 2

1095071.37

1093598.16

90.3

 

 

 

Peak 3

72542.11

71883.36

6.0

 

 

 
Conclusions:
In the conditions of the test, the chromatograms of the test substance show three peaks. A minor peak at an average retention time of 5.297 minutes (~3.7% peak area), corresponding to a partition coefficient (log value) of 3.2, can be assigned to non-cyclopropanated products present in the batch tested. A second minor peak at an average retention time of 8.192 minutes (~6.0% peak area), corresponding to a partition coefficient (log value) of 3.9 can be assigned to bi-cyclopropanated products present in the batch tested. The main peak (~90.3% peak area) elutes at an average retention tine of 6.356, corresponding to a partition coefficient (log value) of 3.5.
Therefore the partition coefficient n-octanol/water of GR-50-1408: log Pow = 3.5.

N.B. The determination was performed at 35°C (temp of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperatures in the same way.

Description of key information

The partition coefficient n-octanol/water of GR-50-1408 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guideline No. 117. The result is :

Partition coefficient n-octanol/water of GR-50-1408 is Log Pow = 3.5

Key value for chemical safety assessment

Log Kow (Log Pow):
3.5
at the temperature of:
35 °C

Additional information