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EC number: 255-410-4 | CAS number: 41496-43-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From February 11, 2021 to March 18, 2021
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-methyl-3-(p-tolyl)propionaldehyde
- EC Number:
- 255-410-4
- EC Name:
- 2-methyl-3-(p-tolyl)propionaldehyde
- Cas Number:
- 41496-43-9
- Molecular formula:
- C11H14O
- IUPAC Name:
- 2-methyl-3-(4-methylphenyl)propanal
- Test material form:
- liquid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The temperature of the refraction index detector during the study was 35°C. This value is incorrectly indicated as 25°C in the study plan.
Applicant's summary and conclusion
- Conclusions:
- In the conditions of the test, the chromatograms of 2-methyl-3-(p-tolyl)propionaldehyde show one peak at a retention time of: 3.755 minutes, corresponding to a partition coefficient (log value) of
2.6.
Therefore:
The partition coefficient n-octanol/water of 2-methyl-3-(p-tolyl)propionaldehyde:
log Pow= 2.6
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. - Executive summary:
The Partition Coefficient n-octanol/water of Jasmorange at pH 7.0 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficient n-octanol/water of 2-methyl-3-(p-tolyl)propionaldehyde:
log Pow= 2.6
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