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Solubility in organic solvents / fat solubility

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Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
other: as mention below
Principles of method if other than guideline:
The test was conducted to determine the solubility range for which 0.1 gm of substance was dissolved in different solvents like acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF).
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: (1,1-Dimethylethyl)-4-methoxyphenol
- Common name: Tert-butyl-4-methoxyphenol
- Molecular formula: C11H16O2
- Molecular weight: 181.2533 g/mol
- Smiles notation: [*]C(C)(C)C.COc1ccc(O)cc1
- InChI: 1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
- Substance type: Organic
- Physical state: Solid
- Physical Appearance: White to pale yellow solid with a waxy appearance
Key result
Medium:
methanol
Solubility:
> 1 000 mg/L
Temp.:
29.4 °C
Remarks on result:
other: Soluble
Test substance stable:
yes
Details on results:
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile and methanol was found to be >1000mgL, while solubility in acetone, ethanol and toluene was found to be 200-1000mg/L, whereas in DMF it was found to be 100-200mg/L, respectively at 29.4°C.
Conclusions:
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile and methanol was determine to be >1000mgL, while solubility in acetone, ethanol and toluene was determine to be 200-1000mg/L, whereas in DMF it was determine to be 100-200mg/L, respectively at 29.4°C.
Executive summary:

The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile and methanol was determine to be >1000mgL, while solubility in acetone, ethanol and toluene was determine to be 200-1000mg/L, whereas in DMF it was determine to be 100-200mg/L, respectively at 29.4°C.

Description of key information

The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile and methanol was determine to be >1000mgL, while solubility in acetone, ethanol and toluene was determine to be 200-1000mg/L, whereas in DMF it was determine to be 100-200mg/L, respectively at 29.4°C.

Key value for chemical safety assessment

Solubility in organic solvents at 20°C:
1 000 mg/L

Additional information

The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile and methanol was determine to be >1000mgL, while solubility in acetone, ethanol and toluene was determine to be 200-1000mg/L, whereas in DMF it was determine to be 100-200mg/L, respectively at 29.4°C.