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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 - June
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
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
Specific details on test material used for the study:
Identifier: EXP1200078
Appearance: Very dark brown (almost black) viscous liquid
Batch: E00275-350
Sample Expiration Date: end-2013
Purity:100%
Analytical method:
other: Total Organic Carbon
Key result
Type:
log Pow
Partition coefficient:
> -1.02 - < 6.5
Temp.:
40 °C
pH:
ca. 6
Remarks on result:
other: pH determined with pH paper.
Details on results:
Since the first of the six test substance peaks on the UV detector eluted at a retention time of approximately 0.88 minutes, which was prior to the retention time for thiourea, the corresponding log POW could not be extrapolated. Therefore, the log POW of the first peak will be reported as less than thiourea, an estimated log POW of -1.02.

Since the second UV and first ELSD peaks eluted during the isocratic portion of the analytical method, but eluted prior to the first calibration reference standard, acetanilide (log POW = 1.00), both an extrapolated and a limit value were reported for
these peaks as per the OECD 117 guideline.

Extrapolation can result in uncertainty because assumptions are made on how the regression trendline will behave outside of
the range of the known set of values. The farther the extrapolated value from the beginning or end of the trendline the
greater the uncertainty in the extrapolated value. Since the sixth UV and remaining three ELSD peaks of the test substance eluted after the last calibration reference standard, DDT (log POW = 6.50), and had to be driven off the column by way of a
stronger (i.e. less polar) mobile phase than used for the elution of the reference substances, the log POW for the sixth UV and remaining three ELSD peaks of the test substance cannot be extrapolated and were reported as a limit value of greater than 6.50.
Conclusions:
Under the chromatographic conditions specified, the test substance eluted as six peaks on the Ultraviolet (UV) detector and four peaks on the Evaporative Light Scattering Detector (ELSD). The log Pow of the test substance was a range of < -1.02 to > 6.50.
Executive summary:

 Under the chromatographic conditions specified, the test substance eluted as six peaks on the Ultraviolet (UV) detector and four peaks on the Evaporative Light Scattering Detector (ELSD). The log POWof the test substance was a range of < -1.02 to > 6.50.

Description of key information

A key GLP study conducted in accordance with OECD guideline.

Under the chromatographic conditions specified, the test substance eluted as six peaks on the Ultraviolet (UV) detector and four peaks on the Evaporative Light Scattering Detector (ELSD). The log Pow of the test substance was a range of < -1.02 to > 6.50.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5
at the temperature of:
20 °C

Additional information

Material is UVCB for which concentration could be determined as Total Organic Carbon (TOC) with a solubility of 2.2 mg/L on the basis of TOC