Registration Dossier
Registration Dossier
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EC number: 680-602-3 | CAS number: 98133-47-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From November 16, 2016 to December 22, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-(acetyloxy)-1-{[3-(acetyloxy)propyl]carbamoyl}-2,2-dimethylpropyl acetate
- Cas Number:
- 98133-47-2
- Molecular formula:
- C15H25NO7
- IUPAC Name:
- 3-(acetyloxy)-1-{[3-(acetyloxy)propyl]carbamoyl}-2,2-dimethylpropyl acetate
- Test material form:
- liquid: viscous
Constituent 1
- Specific details on test material used for the study:
- Aspect : clear, nearly colourless to lightly-yellow, highly viscous liquid
- Sample tested
Lot No. : 75518
Purity : 95.7%
Expiration date : September 19, 2018
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.3
- Temp.:
- 35 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- In the conditions of the test, the chromatograms of Panthenyltriacetate show one peak at average retention times of 2.437 minutes, corresponding to a partition coefficient (log value) of 0.3.
Therefore:
Partition coefficient n-octanol/water of Panthenyltriacetate:
log Pow = 0.3*
* Peak outside the calibration range
N.B.: The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
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