Registration Dossier
Registration Dossier
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EC number: 222-158-1 | CAS number: 3373-59-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2013-03-19 to 2013-11-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Methyl L-threoninate
- EC Number:
- 222-158-1
- EC Name:
- Methyl L-threoninate
- Cas Number:
- 3373-59-9
- Molecular formula:
- C5H11NO3
- IUPAC Name:
- Methyl (2S,3R)-2-amino-3-hydroxy-butanoate
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): L-threonine methyl ester
- Physical state: white crystalline powder
- Analytical purity: 99.8%
- Lot/batch No.: X5UYC99
- Expiration date of the lot/batch: July 2014
- Storage condition of test material: Frozen
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.2
- Temp.:
- 20 °C
- pH:
- ca. 8.5
Any other information on results incl. tables
The concentration of L-TME in the analysed solution (CA) was calculated from standards introduced before and after samples (bracketing standards) by the following equation:
CA (mg/l) = sample peak area x standard concentration (mg l)/mean peak area of bracketing standards
The concentration of L-threonine methyl ester in the respective phases (CB) was then determined thus:
CB (mg/l) = CA (mg/l) x dilution factor
where the dilution factors were 1/3 and 10 for the n-octanol and aqueous phases respectively.
Applicant's summary and conclusion
- Conclusions:
- L-TME was determined to have a logPow value of -1.2 (equivalent Pow = 0.070).
- Executive summary:
The partition coefficient (LogPow) of L-TME was determined in accordance with OECD 107 and was found to be -1.2 at 20 °C.
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