Registration Dossier
Registration Dossier
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EC number: 420-670-1 | CAS number: 37443-42-8 METHFAT
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 23 February 1996 to 3 April 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study according to international guideline
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Methyl tetrahydro-2-furancarboxylate
- EC Number:
- 420-670-1
- EC Name:
- Methyl tetrahydro-2-furancarboxylate
- Cas Number:
- 37443-42-8
- Molecular formula:
- C6H10O3
- IUPAC Name:
- methyl oxolane-3-carboxylate
- Test material form:
- other: liquid
- Details on test material:
- Identity: MeTHFAT
Chemical name: Methyl tetrahydro-2-furoate
Batch number: 17-5C03
Expiry: 7 November 1996
Purity: 99.4%
Appearance: A clrea colourless liquid
Storage conditions: Room temperature
Date received: 17 November 1995
Constituent 1
Study design
- Analytical method:
- gas chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 0.04
- Temp.:
- 19 °C
- pH:
- 5.5 - 7.43
- Type:
- Pow
- Partition coefficient:
- 1.107
- Temp.:
- 19 °C
- pH:
- 5.5 - 7.43
- Details on results:
- Concentration of test substance in octanol stock solution
The concentration of the test substance in the octanol stock solution was determined as 1336.0 µg/ml (mean of individual determinations 1302.1 and 1369.8 µg/ml). Concentration of the test substance based on mass of the test substance used was 1360.9 µg/ml.
Concentration and total mass of the test substance in aqueous and organic test phases after partition
Aqueous phase concentrations ranged from 370.32 µg/ml - 909 µg/ml with pH values ranging from 5.50 - 7.43.
Organic phase concentrations ranged from 461.36 - 951.25 µg/ml.
Quality control data for the aqueous phase analysis give recoveries of 78.4% and 101.9 % (mean 90.1%). The test phase results were not amended for the quality control results.
No peaks were observed at the characteristic retention volume og the test substance in any of the blank solutions indicating the analytical method was free from interferences.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (n-octanol/water) of MeTHFAT has been determined as Log P=0.04 at 19°C.
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