Registration Dossier
Registration Dossier
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EC number: 259-160-7 | CAS number: 54423-67-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted according to EEC Test method A8 under the GLP regulations including stability determination.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.6
- Temp.:
- 20 °C
- pH:
- 6.5
- Details on results:
- Centrifugation of the VeoVa 9 in n-octanol/water mixtures produced two clear phases with no alteration in the volumes of the two phases. This demonstrated that VeoVa 9 does not possess surfactancy properties, in that it did not emulsify the mixtures of octanol and water. It was thus deemed valid to continue with the HPLC estimation.
Linear regression of the reference substance results from the refractive index detector gives:
log P0W = 3.85 log k' + 3.71
r2 = 0.99, n = 14, standard error = 0.175
Using this equation, the log P0W value of VeoVa 9 was estimated to be 4.6. - Conclusions:
- The Log Pow for vinyl neononanoate by the HPLC method was 4.6.
- Executive summary:
The octanol-water partition coefficient (as log Pow) of VeoVa 9 (vinyl ester of neononanoic acid) has been estimated to be 4.6 using high performance liquid chromatography, in accordance with the test method described in the Official Journal of the European Communities (1992). This estimate was supported by a fragment-addition calculation method.
Infrared spectra produced from samples of VeoVa 9 were consistent with the assigned structure for the test substance.
Reference
Description of key information
The octanol/water Log Kow of vinyl neononanoate was determined by ECC testing method A8 HPLC under the GLP regulations and by QSAR estimation.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.6
- at the temperature of:
- 20 °C
Additional information
The octanol/water Log Kow for vinyl neononanoate was determined by EEC testing method A8 HPLC to be 4.6. This experimantally determined value was supported by the Results of O.E.C.D. toolbox QSAR modeling.
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