Registration Dossier
Registration Dossier
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EC number: 251-379-6 | CAS number: 33100-27-5
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:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
Data source
Reference
- Title:
- Oral Toxicity of the Cyclic Polyethers-12-crown-4, 15-crown-5, and 18-crown-6-in Mice
- Author:
- RICHARD R. HENDRIXSON
- Year:
- 1 978
- Bibliographic source:
- Toxicology and applied Pharmacology 44,263-268 (1978)
Materials and methods
- Principles of method if other than guideline:
- Into a 2.0 ml volumetric flask was placed 0.30 g of crown ether, which was then diluted to the mark with octanol. Samples of this solution (1.0 µl) were then injected into a gas chromatograph. Next, 1.0 ml of this solution was combined with 1.0 ml of deionized water. This mixture was inverted 50 times and separated by low-speed centrifugation. Samples (1.0 µl) were then taken from the octanol layer and injected into the gas chromatograph. Three to five injections of each sample were performed. The results were used in the calculation of the relative partition coefficients (Pr).
Pr=[Crown]oct/[Crown]H20= Af/(Ai - Af)
where, Ai = area of crown peak in octanol; Af = area of crown peak in octanol of octanol/H2O mixture - Type of method:
- other: Gas chromatography
Test material
- Reference substance name:
- 1,4,10,13-pentaoxacyclopentadecane
- EC Number:
- 251-379-6
- EC Name:
- 1,4,10,13-pentaoxacyclopentadecane
- Cas Number:
- 33100-27-5
- Molecular formula:
- C10H20O5
- IUPAC Name:
- 1,4,7,10,13-pentaoxacyclopentadecane
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- Pow
- Partition coefficient:
- ca. 0.33
- Temp.:
- 20 °C
- pH:
- ca. 7
- Details on results:
- No specific details on Temperature and pH was provided in the report, so room temperature and neutral pH was considered.
Applicant's summary and conclusion
- Conclusions:
- Partition coefficient n-octanol/water value is 0.33
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