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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:
from 2016-06-14 to 2016-06-16
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
(1995)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
(2008)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-2.38
Temp.:
22.8 °C
pH:
8.5
Key result
Type:
Pow
Partition coefficient:
0.004
Temp.:
22.8 °C
pH:
8.5

Concentrations in n‑Octanol‑ and Aqueous Phase, log POW

 

n-octanol /

Repl.

Meas. conc.

Meas. conc.

POW

log POW

water ratio

 

inn-octanol   [mg/L]

in aq. phase [mg/L]

 

 

Mean

± SD

Diff.
(max-min)

2:1

1

11.3

2722

0.00414

‑2.38

‑2.38

0.02

0.05

2

11.3

2724

0.00414

‑2.38

1:1

1

10.7

2736

0.00392

‑2.41

2

11.2

2756

0.00405

‑2.39

1:2

1

12.2

2747

0.00443

‑2.35

2

12.2

2761

0.00442

‑2.35

 

SD       = Standard deviation

Conclusions:
The partition coefficient n-octanol/water of tetraethylammonium benzoate was determined in a GLP study according to OECD TG 107 (1995) and EC method A.8 (2008) with the shake flask method. The result was log Kow = -2.38 (Kow = 0.00418) at pH 8.5 (unbuffered) and 22.8 °C.
Executive summary:

The partition coefficient n-octanol/water of tetraethylammonium benzoate was determined in a GLP study according to OECD TG 107 (1995) and EC method A.8 (2008) with the shake flask method. The result was log Kow = -2.38 (Kow = 0.00418) at pH 8.5 (unbuffered) and 22.8 °C.

Description of key information

The partition coefficient n-octanol/water of tetraethylammonium benzoate was determined in a GLP study according to OECD TG 107 (1995) and EC method A.8 (2008) with the shake flask method. The result was log Kow = -2.38 (Kow = 0.00418) at pH 8.5 (unbuffered) and 22.8 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.38
at the temperature of:
22.8 °C

Additional information