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EC number: 700-320-7 | CAS number: 18916-17-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2008-09-11 to 2008-12-02
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP, guideline study
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- , 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- , 1992
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- signed 2006-06-01
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
- EC Number:
- 700-320-7
- Cas Number:
- 18916-17-1
- Molecular formula:
- C27H34O14
- IUPAC Name:
- 1-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
- Reference substance name:
- 1-[4-[[2-O-(6-Deoxy-L-mannopyranosyl)-D-glucopyranosyl]oxy]-2,6-dihdroxyphenyl]-3(4-hydroxyphenyl)-1-propanone
- IUPAC Name:
- 1-[4-[[2-O-(6-Deoxy-L-mannopyranosyl)-D-glucopyranosyl]oxy]-2,6-dihdroxyphenyl]-3(4-hydroxyphenyl)-1-propanone
- Details on test material:
- - Name of test material (as cited in study report): Naringin Dihydrochalcone (DHC)
- Physical state: solid, whitish powder
- Storage condition of test material: dark and dry at room temperature
No further details are given.
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 1.01
- Temp.:
- 22.6 °C
- pH:
- 5
- Type:
- log Pow
- Partition coefficient:
- 0.853
- Temp.:
- 22.6 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- -0.703
- Temp.:
- 22.6 °C
- pH:
- 9
- Details on results:
- The partition coefficient (n-octanol/water) of the reference item Benzophenone was determined to be 1508, corresponding to a decadic lagarithm of 3.18 (logPow), being in good correspondence with the literature value of 3.2.
Any other information on results incl. tables
Validity criterion was fulfilled: The six logPow values (3 x 2 replicates) should fall within a range of +/- 0.3 units.
Method validation: SANCO 3029/99 rev.4 (200)
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (n-octanol/water) of the test item Naringin Dihydrochalcone (DHC) was determined to be:
logPow = 1.01 at pH 5;
logPow = 0.85 at pH 7;
logPow = -0.70 at pH 9.
The drop of the partition coefficient at pH 9 could be explained by deprotonation of the phenolic hydroxyl groups of Naringin dihydrochalcone.
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