Registration Dossier
Registration Dossier
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EC number: 427-820-5 | CAS number: 2701-50-0 1,2-METHYLEN-4,6-DIENACETAT
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25 May - 2 Jun 1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.66
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- The partition coefficient of test substance was determined with, log Pow = 2.66.
- Executive summary:
The study was conducted to assess the partition coefficient. The study was conducted in accordance with the OECD guideline 117. The partition coefficient of test substance was determined with, log Pow = 2.66.
Reference
Further details on the result
| retention time [min] | |||
| reference substance | average | logk' | logPow |
| 2-butanone*) | 1.39 | -0.66 | 0.3 |
| acetanilide | 1.44 | -0.58 | 1.0 |
| 4-methytbenzyl alcohol | 1.71 | -0.30 | 1.6 |
| methylbenzoate | 2.31 | 0.01 | 2.1 |
| ethylbenzoate | 2.88 | 0.18 | 2.6 |
| naphthalene | 4.85 | 0.51 | 3.6 |
| 1,2,3-trichlorobenzene | 8.31 | 0.80 | 4.2 |
| 2.6-diphenytpyridine | 10.06 | 0.94 | 4.9 |
| triphenylamine | 18.88 | 1.19 | 5.7 |
| DDT | 25.85 | 1.34 |
*) from ketone mixture
tR (n+1) = -0.723 + 1.636 * tR (n)
Dead time: t0 = -0.723/(1-1.636) = 1.14 min
calibration line: log Pow = 2.268 + 2.775 logk'
determination of logk' of the test substance is 0.14 (retention time: 2.72)
Partition coefficient: log POW = 2.268 + 2.775 * 0.14 = 2.66
95 % confidence interval: 2.44 - 2 87
Validity criteria for the measurement of the partition coefficient:
| Target condition according to guideline: | Actual condition according to the study: | Validity criteria met: |
| In order to correlate the measured HPLC data of a compound with its P value, a calibration graph of log P vs. chromatographic data using at least 6 reference points has to be established. | A calibration graph with six reference points is available. | Yes |
| Whenever possible, at least one reference compound should have a Pow above that of the test substance, and another a Pow below that of the test substance. | LogPow of the test substance = 2.66 LogPows of reference compounds = 0.3 - 6.2 | Yes |
| HPLC method: the result of the preliminary estimation should be stated. | The result of the preliminary estimation is stated. | Yes |
Description of key information
The study was conducted to assess the partition coefficient. The study was conducted in accordance with the OECD guideline 117. The partition coefficient of test substance was determined with, log Pow = 2.66 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.66
- at the temperature of:
- 25 °C
Additional information
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