Registration Dossier
Registration Dossier
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EC number: 269-522-6 | CAS number: 68259-31-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
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 - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Remarks:
- using isocratic elution
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- EC Number:
- 267-308-7
- EC Name:
- 8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- Cas Number:
- 67845-30-1
- Molecular formula:
- C13H20O
- IUPAC Name:
- 8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- Reference substance name:
- 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- EC Number:
- 299-795-7
- EC Name:
- 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- Cas Number:
- 93904-56-4
- Molecular formula:
- C13H20O
- IUPAC Name:
- 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- Reference substance name:
- rel-(1S,2R,4R)-1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- Cas Number:
- 36208-34-1
- Molecular formula:
- C13H20O
- IUPAC Name:
- rel-(1S,2R,4R)-1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- Test material form:
- liquid
Constituent 1
Constituent 2
impurity 1
- Specific details on test material used for the study:
- Name: Maceal
Physical state: Clear to pale yellow liquid
Sponsor batch: SC00008034
Purity: 99.2 %
Arrival date: 02 June 2014
Expiry date: 30 August 2015
Storage conditions: Refrigerated (2 to 8°C) and protected from light
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 4.07
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Peak 1: 54.30% peak area
- Type:
- log Pow
- Partition coefficient:
- 4.24
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Peak 2: 39.98% peak area
- Details on results:
- Note: Testing was performed at 25°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
- Conclusions:
- The main constituents of Maceal according to the HPLC method have a logPow of 4.07 and 4.24.
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