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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April - May 1997
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well conducted GLP study according to OECD Guideline 117, composition known.
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
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
4.84
Temp.:
20 °C
Remarks on result:
other: No information on pH was given

Preliminary estimate

Approximate solubility in n-octanol       >5.0 x 105mg/I

Approximate solubility in water                         26.9 mg/I

Approximate Pow                                 > 1.87 x 104

Log10Pow                                           >4.3

 

Definitive test

Calibration

The retention times of thiourea and the r eference standards are shown in Tables 7.2

and 7.3 respectively.below

The capacity factors (k) and log10Pow values for the reference standards are shown in Table 7.4.

The calibration curve is in the attachment.

 

Partition coefficient of sample

The retention times, capacity factors and log10Pow values determined for the sample are shown in Table 7.5.

Table 7.5

Injection

Retention time

(mins)

Capacity

factor (k)

Log10k

Log10Pow

1

22.473

8.653

0.937

4.84

2

22.458

8.647

0.937

4.84

Mean log10Pow=4.84

Partition coefficient=6.84 x 104

Conclusions:
The partition coefficient of 3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxonane log Pow is 4.84.
Executive summary:

Well described GLP stydy, according to OECD guideline.

Substances having a log Powgreater than 3 are regarded as having the potential to bioaccumulate in the environment.

The partition coefficient of 3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxonane log Pow is 4.84.

Description of key information

The partition coefficient of 3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxonane  log Pow is 4.84.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.84
at the temperature of:
20 °C

Additional information

Substances having a log Powgreater than 3 are regarded as having the potential to bioaccumulate in the environment.