Registration Dossier
Registration Dossier
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EC number: 943-794-2 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- May 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study done to guideline, in compliance with GLP.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guideline
- 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:
- Tetrahydro-3-pentyl-2H-pyran-4-yl acetate
- EC Number:
- 242-640-5
- EC Name:
- Tetrahydro-3-pentyl-2H-pyran-4-yl acetate
- Cas Number:
- 18871-14-2
- Molecular formula:
- C12H22O3
- IUPAC Name:
- 3-O-acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitol
- Reference substance name:
- Nonane-1,3-diyl diacetate
- EC Number:
- 264-060-1
- EC Name:
- Nonane-1,3-diyl diacetate
- Cas Number:
- 63270-14-4
- Molecular formula:
- C13H24O4
- IUPAC Name:
- nonane-1,3-diyl diacetate
- Reference substance name:
- 1-(tetrahydrofuran-3-yl)hexyl acetate
- Molecular formula:
- C12H22O3
- IUPAC Name:
- 1-(tetrahydrofuran-3-yl)hexyl acetate
- Reference substance name:
- rel-(3R,4R)-3-pentyltetrahydro-2H-pyran-4-ol
- Cas Number:
- 24646-98-8
- Molecular formula:
- C10H20O2
- IUPAC Name:
- rel-(3R,4R)-3-pentyltetrahydro-2H-pyran-4-ol
- Reference substance name:
- 3-hydroxynonyl acetate
- Cas Number:
- 902270-36-4
- Molecular formula:
- C11H22O3
- IUPAC Name:
- 3-hydroxynonyl acetate
- Test material form:
- liquid
Constituent 1
Constituent 2
impurity 1
impurity 2
impurity 3
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 3.5
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- Testing was performed at 35°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.
Applicant's summary and conclusion
- Executive summary:
The partition coefficients n-octanol/water of the two main components of JASMONYL are: log Pow = 3.5 and log Pow = 4.0.
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