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EC number: 203-466-5 | CAS number: 107-13-1
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:
- 19/06/2014-27/082014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- >= 1.02 - <= 1.05
- Temp.:
- 21 °C
- pH:
- >= 7.6 - <= 8.5
- Remarks on result:
- other: Mean partition coefficient: 1.04
- Details on results:
- Mean Pow: 1.04
Log10 Pow: 0.0165 - Conclusions:
- The partition coefficient for acrylonitrile was determined using a shake flask method in accordance with EU Method A8 and OECD Method 107, and Gas Chromatography for sample analysis. The organic/aqueous volume ratios used were 1:1, 2:1 and 1:2
The mean partition coefficient of acrylonitrile, CAS No 107-13-1, was determined to be 1.04 at 21.0 ± 0.2˚C, log10Pow 1.65x10-2 - Executive summary:
The partition coefficient for acrylonitrile was determined using a shake flask method following EU Method A8 and OECD Method 107. Sample analysis was performed using a validated Gas Chromatography method. Under these conditions, the mean partition coefficient of acrylonitrile was determined to be 1.04 at 21.0 ± 0.2oC, log10 Pow 1.65x10-2. The pH values of the samples ranged from 7.6 to 8.5.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.11
- Temp.:
- 25 °C
- pH:
- 6.1 - 6.2
- Details on results:
- [Log Pow]
- Condition 1: 0.09, 0.13 (mean: 0.11)
- Condition 2: 0.11, 0.11 (mean: 0.11)
- Condition 3: 0.11, 0.12 (mean: 0.12) - Conclusions:
- The octanol-water partition coefficient (log Pow) of the test substance is reported to be 0.11 at 25 ˚C.
- Executive summary:
The octanol-water partition coefficient (log Pow) of the test substance is reported to be 0.11 at 25 ˚C.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Published study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Shake flask method
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.25
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not reported
- Details on results:
- The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.
- Conclusions:
- The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.
- Executive summary:
The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.
Referenceopen allclose all
Partition coefficient results for each sample:
Sample Number |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
1.04 |
1.83 x 10-2 |
1.04 |
2 |
1.04 |
1.75 x 10-2 |
||
3 |
2:1 |
1.03 |
1.41 x 10-2 |
1.03 |
4 |
1.02 |
8.70 x 10-3 |
||
5 |
1:2 |
1.05 |
2.22 x 10-2 |
1.05 |
6 |
1.05 |
1.82 x 10-2 |
The octanol-water partition coefficient (log Pow) of the test substance is reported to be 0.11 at 25 ˚C.
The Log Pow for acrylonitrile is reported to be 0.25 at 25 oC.
Description of key information
A shake flask determination reported the partition coefficient as 1.04 at 21 oC, log10 Pow 1.65x10-2. The Log Pow for acrylonitrile is also reported to be 0.08-0.25 at 25 oC.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.017
- at the temperature of:
- 21 °C
Additional information
The Log Powfor acrylonitrile is reported to be 0.25 at 25 oC (Pratesi et al., 1979), 0.11 at 25 oC (CITI, 1996) and 0.08 at 25 oC (BASF AG). The partition coefficient was measured using a shake flask method (Butler et al., 2014) to be 1.04 at 21 oC (log10 Pow 1.65x10-2).
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