Registration Dossier
Registration Dossier
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EC number: 201-108-2 | CAS number: 78-35-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19 May - 02 August, 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: A modern GLP study conducted according the appropriate guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- EC Number:
- 201-108-2
- EC Name:
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- Cas Number:
- 78-35-3
- Molecular formula:
- C14H24O2
- IUPAC Name:
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- Reference substance name:
- Unknown impurities
- Molecular formula:
- not applicable
- IUPAC Name:
- Unknown impurities
- Test material form:
- liquid
- Details on test material:
- Commercial name: Linalyl isobutyrate
Chemical name: 3,7-dimethylocta-1,6-dien-3-yl isobutyrate
Empirical formula: C14H24O2
Molecular weight: 224.4 g/mol
EC No.: 201-108-2
CAS No.: 78-35-3
Appearance/physical state: clear colorless liquid
Constituent 1
impurity 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 5.5
- Temp.:
- 30 °C
- pH:
- 7
- Remarks on result:
- other: In the absence of any relevant dissociating functional groups, no specific manipulation of the mobile phase pH was necessary to ensure that the test item was in an unionized form. Therefore the determination was performed at an approximately neutral pH.
- Details on results:
- Note: Testing was performed at 30°C (column temperature), however the values can be considered to represent the values at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Kow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Any other information on results incl. tables
No further data
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (n-octanol/water) of Linalyl isobutyrate was 3.14 x 10^5, log10 Pow is 5.50.
- Executive summary:
The partition coefficient (n-octanol/water) of Linalyl isobutyrate was measured according to OECD Guideline No. 117 (HLPC method).
The partition coefficient (n-octanol/water) of Linalyl isobutyrate was 3.14 x 10^5, log10 Pow is 5.50.
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