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EC number: 202-616-7 | CAS number: 97-89-2
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:
- guideline study
- Justification for type of information:
- Experimental result performed using standard methods of analysis
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Principles of method if other than guideline:
- To determine Partition coefficient (Pow) on soil and on sewage sludge of the test chemical using HPLC.
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.415
- Temp.:
- 25 °C
- pH:
- 6.15
- Remarks on result:
- other: The log octanol-water Partition coefficient is 5.4148 ± 0.0063
- Conclusions:
- The partition coefficient (n-octanol/water) of test substance 3,7-dimethyloct-6-enyl isobutyrate was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 5.4148 ± 0.0063 dimensionless at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to the estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 5.4148 ± 0.0063 at 25°C.This value indicates that the substance is very hydrophobic in nature.
Reference
Test substance |
K |
LogK |
Log Pow by Generalized Calibration Graph |
Mean of logPow ± S.D |
|
Tr1 |
9.353 |
8.9468 |
0.9517 |
5.4103 |
5.4148 ± 0.0063 |
Tr2 |
9.42 |
9.0181 |
0.9551 |
5.4192 |
|
Description of key information
The partition coefficient (n-octanol/water) of test substance 3,7-dimethyloct-6-enyl isobutyrate was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 5.4148 ± 0.0063 dimensionless at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.415
- at the temperature of:
- 25 °C
Additional information
The partition Coefficient n-octanol/water of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to the estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 5.4148 ± 0.0063 at 25°C.This value indicates that the substance is very hydrophobic in nature.
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