Registration Dossier
Registration Dossier
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EC number: 603-520-1 | CAS number: 131807-57-3
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- solubility in organic solvents / fat solubility
- 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:
- other: OECD 105
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: OPPTS 830.7840
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: CIPAC MT 181
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Substance ID: DPX-JE874-498
Lot #: JEGX150811
Purity: 99.8% - Medium:
- acetonitrile
- Solubility:
- 273 g/L
- Temp.:
- 20 °C
- Medium:
- methanol
- Solubility:
- 11.2 g/L
- Temp.:
- 20 °C
- Medium:
- acetone
- Solubility:
- 280.54 g/L
- Temp.:
- 20 °C
- Medium:
- other: 1,2-Dichloromethane
- Solubility:
- 293.87 g/L
- Temp.:
- 20 °C
- Medium:
- n-octanol
- Solubility:
- 2.8 g/L
- Temp.:
- 20 °C
- Medium:
- ethyl acetate
- Solubility:
- 130.51 g/L
- Temp.:
- 20 °C
- Medium:
- other: o-xylene
- Solubility:
- 11.67 g/L
- Temp.:
- 20 °C
- Medium:
- other: n-hexane
- Solubility:
- 0.028 g/L
- Temp.:
- 20 °C
- Conclusions:
- The overall mean solubility of the test substance in the various solvents was determined to be:
Acetonitrile: 273.00 ± 3.59 g/L
Methanol: 11.20 ± 0.60 g/L
Acetone: 280.54 ± 4.42 g/L
1,2-Dichloromethane: 293.87 ± 4.64 g/L
n-octanol: 2.80 ± 0.05 g/L
Ethyl Acetate: 130.51 ± 3.47 g/L
o-xylene: 11.67 ± 0.47 g/L
n-hexane: 0.0278 ± 0.0007 g/L - Executive summary:
The organic solvent solubility study was patterned after the shake flask method described in OECD Guideline 105. A preliminary test was conducted to estimate the solubility of the test item in acetonitrile, methanol, acetone, ethyl acetate, 1,2-dichloromethane, o-xylene, n-octanol and n-hexane. A definitive test was then conducted using the shake flask method to accurately determine the solubility of the test item in each of the solvents at 20±0.5°C. Saturated solutions in each solvent were prepared and analyzed for the test substance by high performance liquid chromatography (HPLC). The overall mean solubility (g/L) of the test substance in the various solvents was determined to be:
Acetonitrile: 273.00 ± 3.59 g/L
Methanol: 11.20 ± 0.60 g/L
Acetone: 280.54 ± 4.42 g/L
1,2-Dichloromethane: 293.87 ± 4.64 g/L
n-octanol: 2.80 ± 0.05 g/L
Ethyl Acetate: 130.51 ± 3.47 g/L
o-xylene: 11.67 ± 0.47 g/L
n-hexane: 0.0278 ± 0.0007 g/L
Reference
Description of key information
OECD 105; OPPTS 830.7840; CIPAC MT 181
Key value for chemical safety assessment
Additional information
Solubility in various organic solvents in g/L:
Acetonitrile: 273.00 ± 3.59
Methanol: 11.20 ± 0.60
Acetone: 280.54 ± 4.42
1,2-Dichloromethane: 293.87 ± 4.64
n-octanol: 2.80 ± 0.05
Ethyl Acetate: 130.51 ± 3.47
o-xylene: 11.67 ± 0.47
n-hexane: 0.0278 ± 0.0007
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