Registration Dossier
Registration Dossier
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EC number: 927-505-7 | CAS number: 101153-84-8
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:
- other: Guideline study, to GLP.
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:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-methyl-5-oxopentyl acetate
- EC Number:
- 927-505-7
- Cas Number:
- 101153-84-8
- Molecular formula:
- C8H14O3
- IUPAC Name:
- 3-methyl-5-oxopentyl acetate
- Test material form:
- other: liquid
- Details on test material:
- Commercial Name: Acetoxy Methyl Pentanal
Chemical Nature: 5-Acetoxy-3-methylpentanal
Emperical Formula: C8H14O3
Molecular Weight: 158.19 g/mol
CAS No.: 101153-84-8
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.9
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- Note: 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
- Conclusions:
- Partition coefficient n-octanol/water of Acetoxy Methyl Pentanal: log Pow = 0.9
- Executive summary:
The partition coefficient n-octanol/water of Acetoxy Methyl Pentanal 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: Partition coefficient n-octanol/water of Acetoxy Methyl Pentanal: log Pow = 0.9
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