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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 2009-11-20 to 2010-01-07
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP Guideline Study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 7.17
Temp.:
40 °C
pH:
ca. 7
Details on results:
See Below

CALIBRATION:

Reference Standard Concentration (mg/L)  Retention Time (min) Capacity Factor(k) 1,2  log k 2  log Pow 3
Thiourea  40.0 1.799, 1.798  N/A  N/A  N/A
Acetanilide  80.0 2.238, 2.238  0.244, 0.244 -0.612, -0.612    1.0
2-Nitrophenol  40.0 2.865, 2.866  0.593, 0.594 -0.227, -0.227    1.8
Toluene  200.0 5.255, 5.259  1.92, 1.92 0.284, 0.284    2.7
Naphthalene  20.0 6.549, 6.559  2.64, 2.65 0.422, 0.423   3.6 
Fluoranthene  20.0 17.899, 17.971  8.95, 8.99 0.952, 0.954    5.1
DDT  200.0 37.239, 37.250  19.7, 19.7 1.29, 1.29    6.5
1Capacity factor (k) is the standard retention time minus the mean column dead time (1.799 minutes for thiourea) divided by the mean column dead time. 2Values obtained utilizing Microsoft Excel 2000 in full precision mode. Manual calculations may differ slightly. 3Log Pow values are based on literature values provided in OECD Guideline 117.

Correlation log k and Pow:

Slope: 0.3396

Axis intercept: -0.8190

Correlation coefficient: 0.9749

MEASUREMENTS:

Sample Number

(527C-102-)

Offset Adjusted

Retention Time

(min)

Mean (X)

Standard

Deviation (SD)1

Offset Adjusted

Log Pow1,2 

Mean (X)

Standard

Deviation (SD)1,2

1 (Peak 1)

2 (Peak 1)

3 (Peak 1)

75.945

75.879

75.786

X = 75.870

SD = 0.080

(> 7.17)

(> 7.17)

(> 7.17)

X = (> 7.17)

SD = 0.00

1 (Peak 2)

2 (Peak 2)

3 (Peak 2)

87.094

87.133

86.915  

X = 87.048

SD = 0.116

(> 7.35)

(> 7.35)

(> 7.34)

X = (> 7.35)

SD = 0.00

1 Values obtained utilizing Microsoft Excel 2000 in full precision mode. Manual calculations may differ slightly. 2 Values in parenthesis are extrapolated values.  
Conclusions:
The extrapolated log Pow of Alcohols, C18-22, Distn. Residues was >7.17.
Executive summary:

The log Pow of Alcohols, C18 -22, Distn. Residues was determined according to OECD Guideline 117. Alcohols, C18 -22, Distn. Residues eluted as two peaks on the evaporative light scattering detector (ELSD). Since both peaks eluted after the high Pow reference standard under the standard conditions and only after a stronger mobile phase composition was used to drive the test substance off the column, the log Pow for Alcohols, C18 -22, Distn. Residues was greater than DDT (6.5). The extrapolated log Pow was >7.17.

Description of key information

Alcohols, C18 -22, Distn. Residues eluted as two peaks on the evaporative light scattering detector (ELSD).

Since both peaks eluted after the high Pow reference standard under the standard conditions and only after a stronger mobile phase composition was used to drive the test substance off the column, the log Pow for Alcohols, C18 -22, Distn. Residues was greater than DDT (6.5).

The extrapolated log Pow was >7.17.

Key value for chemical safety assessment

Additional information