Registration Dossier
Registration Dossier
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EC number: 606-014-9 | CAS number: 18402-86-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
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)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (E)-3,5-dimethylhex-3-en-2-one
- EC Number:
- 606-014-9
- Cas Number:
- 18402-86-3
- Molecular formula:
- C8H14O
- IUPAC Name:
- (E)-3,5-dimethylhex-3-en-2-one
- Reference substance name:
- (E)-3,4-dimethylhex-4-en-2-one
- Cas Number:
- 20685-50-1
- Molecular formula:
- C8H14O
- IUPAC Name:
- (E)-3,4-dimethylhex-4-en-2-one
- Reference substance name:
- 3,5-dimethylhex-4-en-2-one
- Cas Number:
- 36616-77-0
- Molecular formula:
- C8H14O
- IUPAC Name:
- 3,5-dimethylhex-4-en-2-one
- Test material form:
- liquid
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- Commercial Name: Secodemone
Givaudan Code No.: 0029283
Chemical Nature: (E)-3,5-dimethylhex-3-en-2-one
Empirical Formula: C8H14O
Molecular weight: 126.20 g/mol
CAS No.: 18402-86-3
Aspect: colourless to pale yellow liquid
Lot No.: SC00010091
Expiration Date: October 31, 2016
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.3
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- 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.
Applicant's summary and conclusion
- Conclusions:
- The Partition Coefficient n-octanol/water of Secodemone 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: logPow = 2.3
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