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EC number: 231-324-2 | CAS number: 7492-67-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From October 14, 2019 to November 04, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- [(3,7-dimethyl-6-octenyl)oxy]acetaldehyde
- EC Number:
- 231-324-2
- EC Name:
- [(3,7-dimethyl-6-octenyl)oxy]acetaldehyde
- Cas Number:
- 7492-67-3
- Molecular formula:
- C12H22O2
- IUPAC Name:
- 2-[(3,7-dimethyloct-6-en-1-yl)oxy]acetaldehyde
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Lot No: VE00601569
Aspect: Colourless to pale yellow liquid
Purity: 92.9% (sum of the two peaks)
Expiration date: January 12, 2020
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.5
- Temp.:
- 25 °C
- pH:
- 7.04
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.5
- Temp.:
- 25 °C
- pH:
- 7.04
Applicant's summary and conclusion
- Conclusions:
- In the conditions of the test, the chromatograms of Citronellyl Oxyacetaldehyde show two peaks at average retention times of 7.09 minutes (84.0% relative peak area), corresponding to a partition coefficient (log value) of 3.5 and 13.62 minutes (16.0% relative peak area), corresponding to a partition coefficient (log value) of 4.5.
Therefore:
Partition coefficients n-octanol/water of the constituents of Citronellyl Oxyacetaldehyde:
log Pow = 3.5 and 4.5
N.B.: The determination was performed at 25°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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