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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April 1993 to May 1993
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study conducted under recognised test methods.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1994
Report date:
1994

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Federal register, 50, pp39252-39263 and Technical Assistance Document 3.02 given in the Environmental Assessment Technical Assistance Handbook, March 1987
Deviations:
yes
Remarks:
See "Principles of method if other than guideline"
Principles of method if other than guideline:
The test format was adapted from instructions given in the Federal Register, 50, pp39252-39263 and Technical Assistance Document 3.02 given in the Environmental Assessment Technical Assistance Handbook, March 1987. The design of the partitions flasks and the method for equilibration was adapted from published methods describing the stirflasks and the method for equilibration of n-octanol-water systems. Contain the test syytems in 125 mLErlenmeyer flasks fitted with T24/40 double offset adapters, fitted with screwcaps, septa and luer lock adapters. Attach a stainless steel 18 gauge, 6'' length syringe needle to the luer lock adapter and within the flask permit sampling of the aqueouse phase without disruption. Add glass beads to the bottom ofvthe flasks, which are to be rotated on an orbital shaker at a controlled rate and temperature.
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Mycophenolic acid
EC Number:
246-119-3
EC Name:
Mycophenolic acid
Cas Number:
24280-93-1
Molecular formula:
C17H20O6
IUPAC Name:
6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Details on test material:
Name of test material (as cited in study report): Mycophenolic acid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
2.28
Temp.:
25 °C
pH:
5
Type:
log Pow
Partition coefficient:
0.47 - 0.48
Temp.:
25 °C
pH:
7
Type:
log Pow
Partition coefficient:
-1.83 - -1.54
Temp.:
25 °C
pH:
9

Applicant's summary and conclusion

Executive summary:

Distribution ratio and Log (Kow) values are reported above. For the low initial concentrations studied, Log ratios were found to be 2.28, 0.47 and -1.54 for pH 5, 7 and 9, respectively. for hig initial concentrations studied, Log ratios were found to be 2.28, 0.48 and -1.83 foe pH 5, 7 and 9 respectively.