Registration Dossier
Registration Dossier
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EC number: 219-075-8 | CAS number: 2349-07-7
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:
- July 25, 2018 – July 26, 2018
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.7
- Temp.:
- 25 °C
- pH:
- 6
- Conclusions:
- The log pow of hexyl isobutyrate was determined using the HPLC method according to OECD 117. The partitioning coefficient of the test item was stated as 4.7 at 25 ± 0.5 °C and at approx. pH 6.
Reference
Using the correlation log k / log POW, the log POW of the test item hexyl isobutyrate was calculated as 4.668 ± 0.000 (mean ± standard deviation).
The validity criteria and results are presented in the following table:
Validity Criteria and Results
Parameter |
Criterion |
Found |
Assessment |
Range (Max – Min. log POW) |
< 0.1 |
0.000 |
valid |
Value within Range of Reference Items |
0.30 - 6.50 |
4.668 |
valid |
The correlation log k / log POW is good: the coefficient of determination r2 was calculated with 0.9952. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item hexyl isobutyrate.
Description of key information
The log POW of hexyl isobutyrate was determined using the HPLC method according to OECD 117. The partitioning coefficient of the test item was stated as 4.7 at 25 °C and pH 6.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.668
- at the temperature of:
- 25 °C
Additional information
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