Registration Dossier
Registration Dossier
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EC number: 202-905-8 | CAS number: 100-97-0
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:
- 1980
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: only published literature available
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- 50 mL of water, containing a known concentration of the test compound, and 100 mL of certified reagent grade n-octanol were placed into 250 mL-centrifuge tubes. The tubes were shaken for 14 hrs at 200 rpm at 20 °C, after which they were centrifuged at 1700 rpm for 20 min at 20 °C. Each test was run in duplicate with both positive (test solution without octanol) and negative (demineralized water with octanol) controls. The sample was then quantified against a standard of hexamethyleneteramine on the IR by measuring the absorbance at a wavelength of 10.1 nm.
- GLP compliance:
- not specified
- Type of method:
- other: shake-flask and IR-analysis
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: IR-spectroscopy
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.18
- Temp.:
- 20 °C
- pH:
- >= 7 - <= 9
- Details on results:
- not applicable
- Conclusions:
- The n-octanol/water partition coefficient (log Kow) for methenamine was determined to be -2.18 at 20 °C and pH 7-9.
- Executive summary:
Using a shake flask method in combination with IR-analysis the n-octanol/water partition coefficient (log Kow) for methenamine was determined to be -2.18 at 20 °C and pH 7-9.
Reference
no remarks
Description of key information
In a published study the partition coefficient ofmethenaminewas determined to a logKow of -2.18 at 20 °C and pH 7-9. The calculated logKow by using (Q)SAR is -4.15. In conclusion, hexamethylenetetramine can be regarded as highly soluble in water (hydrophilic substance = negative logKow) and is therefore not considered to bioaccumulatein aquatic systems.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.18
- at the temperature of:
- 20 °C
Additional information
Because it results from an expermimental method, the measured value of log Kow = -2.18 is taken as key parameter.
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