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Physical & Chemical properties

Solubility in organic solvents / fat solubility

Administrative data

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 May 2009 - 28 May 2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study not performed in accordance with the respective test guidelines. No GLP compliance.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guideline
Qualifier:
no guideline followed
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate
EC Number:
686-241-8
Cas Number:
81058-27-7
Molecular formula:
C26H43BrO9
IUPAC Name:
[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate
Test material form:
solid: crystalline
Details on test material:
- Name of test material (as cited in study reports): JNJ-42808389-AAA (T003421)
- Physical state: crystalline powder
- Appearance: white powder

Results and discussion

Solubility in organic solvents / fat solubilityopen allclose all
Medium:
methanol
Solubility:
4.6 other: g/100 mL
Medium:
ethanol
Solubility:
3.2 other: g/100 mL
Medium:
isopropanol
Solubility:
2.5 other: g/100 mL
Medium:
other: dichloormethane
Solubility:
> 20 other: g/100 mL
Medium:
acetone
Solubility:
> 20 other: g/100 mL
Medium:
ethyl acetate
Solubility:
> 20 other: g/100 mL
Medium:
toluene
Solubility:
> 20 other: g/100 mL
Medium:
other: isobutyl methyl ketone
Solubility:
> 20 other: g/100 mL
Medium:
other: methyl ethyl ketone
Solubility:
> 20 other: g/100 mL
Medium:
other: 1-methoxy-2-propanol
Solubility:
7.5 other: g/100 mL
Test substance stable:
not determined
Details on results:
Solvent solubility in g/100 mL solution
---------------------------------------------------------------------------
N,N-dimethylacetamide >20
N,N-dimethylformamide 17< solubility<25
Acetonitrile 10
Tetrahydrofuran >20
Acetic acid 14
Acetic acid/water (10/90, v/v) (pH=7.6; 25°C) <0.010
Methanol/dichloormethane (50/50, v/v) >20
2-methyltetrahydrofuran >20
Isopropyl acetate >20
methyl-tert.-butylether >20
1-methyl-2-pyrrolidinone >20
1-butanol 3.0
2-butanol 4.2
ethanol/water (95/5, v/v) 2.0

Applicant's summary and conclusion

Conclusions:
The solubility of T003421 was determined by drying and weighing. The results show a large variability in the solubility of T003421 in the different organic solvents tested.
The results of the test can be considered reliable with restriction.