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EC number: 401-280-0 | CAS number: 91273-04-0 CM 23-376; REOMET 30
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
Referenceopen allclose all
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
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