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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:
2005-07-04 to 2006-05-03
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline-conform study under GLP without deviations.
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-0.321
Temp.:
25 °C
pH:
ca. 8.4
Remarks on result:
other: SD = +/-0.021
Type:
Pow
Partition coefficient:
0.478
Temp.:
25 °C
pH:
ca. 8.4
Remarks on result:
other: SD = +/-0.023
Conclusions:
log Pow = - 0.321 ± 0.021 at 25°C ± 1°C.
Executive summary:

The partition coefficient (Pow) of Toluene-2,5-diamine (A005) was estimated according to the test guidelines described in OECD Guideline No. 107, "shake-flask method". The partition coefficient Toluene-2,5-diamine (A005) was estimated to be 0.1 by the Sponsor.

For the definitive estimation, three series of duplicate measurements were performed in different volumes of a stock solution in n-octanol (presaturated with buffer pH = 8.5) which were shaken with different volumes of buffer pH = 8.5 (presaturated with n-octanol). After centrifugation, both organic and aqueous phases were analyzed by High Performance Liquid Chromatography with Ultra-Violet detection (HPLC/UV). The partition coefficients were calculated, for each ratio tested, from the measured concentration of Toluene-2,5-diamine (A005) in the organic and aqueous phases.

The resulting log Pow = - 0.321 ± 0.021 at 25°C ± 1°C.

Description of key information

Substance 2-methyl-p-phenylenediamine has a log Pow = - 0.321 ± 0.021 at 25°C ± 1°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.321
at the temperature of:
25 °C

Additional information

A Klimisch-1-rated study was being conducted in 2006. The partition coefficient (Pow) of 2-methyl-p-phenylenediamine was estimated according to the test guidelines described in OECD Guideline No. 107, "shake-flask method". The resulting log Pow = - 0.321 ± 0.021 at 25°C ± 1°C (Pow = 0.478).