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Partition coefficient

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Endpoint:
partition coefficient
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance decomposes
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
84/449/EWG, A.8 (calculated, Leo-Hansch Method / Rekker Method)
Key result
Type:
log Pow
Partition coefficient:
5.3
Temp.:
0 °C
Conclusions:
Log Pow = 5.3 at 0°C as calculated by Leo-Hansch Method
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Experimental data of the hydrolysis products
Adequacy of study:
key study
Study period:
1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Type of method:
other: Data from Handbook - no data on method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
7.3
Temp.:
25 °C
pH:
7.5
Remarks on result:
other: Bis-(2-ethylhexyl)amine
Key result
Type:
log Pow
Partition coefficient:
0.35
Temp.:
25 °C
Remarks on result:
other: CAS 50-00-0; FORMALDEHYDE
Key result
Type:
log Pow
Partition coefficient:
-0.58
Temp.:
25 °C
Remarks on result:
other: CAS 288-88-0; 1H-1,2,4-TRIAZOLE
Conclusions:
log Pow of 1H-1,2,4 -triazole = -0.58
log Pow of Formaldehyde = 0.35
log Pow of Bis-(2-ethylhexyl)amine = 7.3

Description of key information

The partition coefficient of test substance cannot be determined by experiment as the test substance is hydrolytically unstable (Ref: “Hydrolysis of Test Item", GLP report no. 09.093 from Ciba Inc.,(TAOH),2009).

For CSA use purposes only, the Log Pow = 5.3 at 0°C as calculated by  Leo-Hansch Method and presented as a supporting study has been used.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.3
at the temperature of:
0 °C

Additional information

The log Pow value of degradation products have also been considered and individually generated.

The log Pow of Bis-(2 -ethylhexyl)amine with CAS number 106 -20 -7 has been measued (OXEA GmbH, Report No: AN-ASB 0496, 12 April 2010)

The log Pow values of 1H-1,2,4 -triazole with CAS number 288-88-0 and formaldehyde with CAS number 50-00-0 derive from SRC PhysProp Database. (Experimental data, Ref.: Hansch, C ET AL. 1995)

log Pow of Bis-(2-ethylhexyl)amine = 7.3 at pH 7.5

log Pow of 1H-1,2,4 -triazole = -0.58

log Pow of Formaldehyde = 0.35