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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:
2016-04-12 to 2017-01-20
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Calculation and HPLC Method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Batch no. 41251
- Expiration date of the lot/batch: 2017-03-01 (taken from Label)

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: until 01 March 2017 (nominal expiry date) (taken from label)

FORM AS APPLIED IN THE TEST (if different from that of starting material): Colourless liquid
Analytical method:
gas chromatography
mass spectrometry
Key result
Type:
Pow
Partition coefficient:
ca. 12 000
Temp.:
35 °C
pH:
ca. 7
Remarks on result:
other: HPLC Method
Key result
Type:
log Pow
Partition coefficient:
ca. 4.1
Temp.:
35 °C
pH:
ca. 7
Remarks on result:
other: HPLC Method
Key result
Type:
Pow
Partition coefficient:
ca. 41 000
Remarks on result:
other: Rekker calculation method.
Key result
Type:
log Pow
Partition coefficient:
ca. 4.61
Remarks on result:
other: Rekker calculation method.

Powof the test item

Substance

tr,1

[min]

tr,2

[min]

mean tr

(n=2)

log Pow

Pow

Formamide (t0)

0.679

0.679

0.679

 

 

Toluene

1.578

1.577

 

2.7

 

1,4-Dichlorobenzene

2.020

2.020

 

3.4

 

Biphenyl

2.693

2.694

 

4.0

 

1,2,4-Trichlorobenzene

3.089

3.093

 

4.2

 

Dibenzyl

4.461

4.467

 

4.8

 

Triphenylamine

8.199

8.222

 

5.7

 

 

Test item

2.918

2.921

2.920

4.1

1.2 x 104

Conclusions:
The Pow and log Pow values of the test material at neutral pH were 1.2 x 10^4 and 4.1, respectively.
Executive summary:

The HPLC method was applied for the determination of the partition coefficient (Pow) of AsahiklinTM AC-2000.

The Pow and log Pow values of the test material at neutral pH were 1.2 x 104and 4.1, respectively.

Description of key information

The HPLC method was applied for the determination of the partition coefficient (Pow) of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane.

 

The Pow and log Pow values of the test material at neutral pH were 1.2 x 104 and 4.1, respectively.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.1
at the temperature of:
35 °C

Additional information

A GLP-compliant study, conducted according to OECD Guideline 117 (HPLC method) was provided for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (Charles River Laboratories Den Bosch BV., 2017a).

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