Registration Dossier
Registration Dossier
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EC number: 801-773-4 | CAS number: 1550-44-3
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:
- From 08 July 2014 to 22 October 2014
- 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)
- Version / remarks:
- 1995
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.45
- Temp.:
- 20 °C
- pH:
- 7.3 - 7.6
- Remarks on result:
- other: equivalent Pow = 2.8
- Conclusions:
- 2,2-Difluoroethyl acetate was determined to have a log10Pow value of 0.45 (equivalent Pow = 2.8) at 20˚C.
- Executive summary:
The n-octanol/water partition coefficient of 2,2-Difluoroethyl acetate was investigated in a GLP-compliant study according to OECD test guideline 107 using shake flask method. The log10Pow was determined to be equal to 0.45 (equivalent Pow = 2.8) at 20˚C.
Reference
Determination of the Partition Coefficient of 2,2-Difluoroethyl acetate
Sample | A | B | C | E | F |
n-octanol volume (mL) | 10 | 10 | 15 | 20 | 20 |
Test substance in n-octanol (mg/L) | 713.0 | 687.3 | 876.7 | 1023 | 998.6 |
Total test substance in n-octanol (µg) | 7130 | 6870 | 13200 | 20500 | 20000 |
Aqueous volume (mL) | 20 | 20 | 15 | 10 | 10 |
Test substance in aqueous phase (mg/L) | 251.4 | 248.1 | 309.5 | 352.3 | 353.6 |
Total test substance in aqueous phase (µg) | 5030 | 4960 | 4640 | 3520 | 3540 |
Total test substance added (µg) | 12300 | 12300 | 18500 | 24700 | 24700 |
Total test substance recovered (µg) | 12200 | 11800 | 17800 | 24000 | 23500 |
pH of aqueous phase after partition | 7.3 | 7.4 | 7.5 | 7.6 | 7.5 |
Pow | 2.84 | 2.77 | 2.83 | 2.90 | 2.82 |
log10Pow | 0.453 | 0.443 | 0.452 | 0.463 | 0.451 |
Mean log10Pow | 0.452 (Pow = 2.83) | ||||
Note: sample D (ratio 1:1 v/v) was lost on processing, but this did not have an impact on the final result because results from all other samples were highly consistent.
Description of key information
The n-octanol/water partition coefficient (Log) of 2,2-Difluoroethyl acetate is equal to 0.45 (equivalent Pow = 2.8) at 20˚C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.45
- at the temperature of:
- 20 °C
Additional information
An experimental study performed under GLP compliance and in accordance with OECD test guideline 107 was flagged as a key study and assigned a Klimisch score of 1. It reports that 2,2-Difluoroethyl acetate has a n-octanol/water partition coefficient (Log) of 0.45 (equivalent Pow = 2.8) at 20˚C.
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