Registration Dossier
Registration Dossier
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EC number: 202-442-1 | CAS number: 95-70-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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.
- Qualifier:
- according to guideline
- 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
- 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.
Reference
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).
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