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EC number: 214-675-6 | CAS number: 1184-78-7
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:
- 19/05/2017 to 28/07/2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 160504
- Expiration date of the lot/batch: data not available
- Purity test date: 29/05/2017 (manufacturing date) - Analytical method:
- liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.79
- Temp.:
- 24.5 °C
- pH:
- >= 5 - <= 6
- Remarks on result:
- other: Temp. and pH not reported
- Details on results:
- POW with 2.5mg in 25ml H2O + 75ml 1-octanol: 1.7x10-3 ± 5x10-4
POW with 2.5mg in 50ml H2O + 50ml 1-octanol: 1.5x10-3 ± 1x10-4
POW with 2.5mg in 75ml H2O + 25ml 1-octanol: 1.8x10-3 ± 2x10-4
POW (mean): 1.7x10-3 ± 3x10-4
Log POW: -2.79 ± 0.08 - Conclusions:
- The LogKow of Trimethylamine N-oxide is: -2.79 ± 0.08 at 24-25ºC and pH 5-6.
- Executive summary:
The Partition coefficient n-octanol/water of Trimethylamine N-oxide was determined in a test equivalent to OECD TG 107 (flask method).
The LogKow of TMAO is: -2.79 ± 0.08 at 24-25ºC and pH 5-6
Reference
Description of key information
Flask method, equivalent to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method). Not GLP but ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories).
Log Pow: -2.79 (at 24-25ºC and pH 5-6).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.79
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