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Physical & Chemical properties

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
Study period:
2011-01-25 to 2011-01-27
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Reference:
Composition 0
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 116 (Fat Solubility of Solid and Liquid Substances)
Deviations:
yes
Remarks:
no preliminary test reported, only one run
GLP compliance:
no
Test material information:
Composition 1
Medium:
methanol
Solubility:
0.17 other: g/100 mL
Medium:
ethanol
Solubility:
0.15 other: g/100 mL
Medium:
isopropanol
Solubility:
0.19 other: g/100 mL
Medium:
other: dichloromethane
Solubility:
> 20 other: g/100 mL
Medium:
acetone
Solubility:
15 other: g/100 mL
Medium:
ethyl acetate
Solubility:
22 other: g/100 mL
Medium:
toluene
Solubility:
> 20 other: g/100 mL
Medium:
acetonitrile
Solubility:
1.6 other: g/100 mL
Medium:
dimethylformamide
Solubility:
13 other: g/100 mL
Medium:
other: isobutyl methyl ketone
Solubility:
12 other: g/100 mL
Medium:
other: methyl ethyl ketone
Solubility:
22 other: g/100 mL
Medium:
other: 1-methoxy-2-propanol
Solubility:
1.3 other: g/100 mL
Medium:
other: THF
Solubility:
> 20 other: g/100 mL
Medium:
other: acetic acid
Solubility:
2.5 other: g/100 mL
Medium:
other: isopropyl acetate
Solubility:
12 other: g/100 mL
Medium:
other: 1-butanol
Solubility:
0.26 other: g/100 mL
Medium:
other: 2-butanol
Solubility:
0.29 other: g/100 mL
Test substance stable:
not determined
Details on results:
Solvent solubility in g/100 mL solution
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N,N-dimethylacetamide 13
N,N-dimethylformamide 13
Acetonitrile 1.6
Tetrahydrofuran >20
Acetic acid 2.5
Acetic acid/water (10/90, v/v) (pH=2.3; 21°C) <0.001
Methanol/dichloormethane (50/50, v/v) 12
Isopropyl acetate 12
1-butanol 0.26
2-butanol 0.29
ethanol/water (95/5, v/v) 0.074
Conclusions:
T003422 appears to be very soluble in dichloromethane, toluene, tetrahydrofuran (> 200 g/L) and ethyl acetate and methyl ethyl ketone (220 g/L)..

Description of key information

In a non-GLP study the solubility of T003422 in different organic solvents was determined at 20°C. No specific guideline was followed, instead a comparable method is used. For this reason, the study is assiged as reliable with restrictions (Klimisch score 2). Based on the results, T003422 appeared to be very soluble in dichloromethane, toluene, tetrahydrofuran (> 200 g/L) and ethyl acetate and methyl ethyl ketone (220 g/L).

Key value for chemical safety assessment

Additional information

Solvent                                          solubility in g/100 mL solution

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Methanol                                                                       0.17

Ethanol                                                                           0.15

2 -propanol                                                                    0.19

Dichloromethane                                                            >20

Acetone                                                                          15

Ethyl acetate                                                                    22

Toluene                                                                           >20

Isobutyl methyl ketone                                                      12

Methyl ethyl ketone                                                          22

1-methoxy-2 -propanol                                                    1.3

N,N-dimethylacetamide                                                   13

N,N-dimethylformamide                                                  13

Acetonitrile                                                                     1.6

Tetrahydrofuran                                                              >20

Acetic acid                                                                       2.5

Acetic acid/water (10/90, v/v) (pH=2.3; 21°C)             <0.001

Methanol/dichloormethane (50/50, v/v)                             12

Isopropyl acetate                                                              12

1-butanol                                                                         0.26

2-butanol                                                                         0.29

ethanol/water (95/5, v/v)                                                 0.074