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Solubility in organic solvents / fat solubility

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Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
January 19, 2010- May 20, 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
other: EEC A.6
Qualifier:
according to guideline
Guideline:
other: OECD 105
Qualifier:
according to guideline
Guideline:
other: OPPTS 830.7840
GLP compliance:
yes (incl. QA statement)
Specific details on test material used for the study:
Methomyl
DPX-X1179-599
Purity 99.6%
Key result
Medium:
acetone
Solubility:
> 790.24 - <= 798.84 g/L
Temp.:
20 °C
Key result
Medium:
ethyl acetate
Solubility:
> 194.61 - <= 205.21 g/L
Temp.:
20 °C
Key result
Medium:
methanol
Solubility:
> 1 000 g/L
Temp.:
20 °C
Key result
Medium:
other: dichloromethane
Solubility:
> 1 000 g/L
Temp.:
20 °C
Key result
Medium:
other: o-xylene
Solubility:
> 6.89 - <= 7.29 g/L
Temp.:
20 °C
Key result
Medium:
other: n-hexane
Solubility:
> 0.001 - <= 0.001 g/L
Temp.:
20 °C
Key result
Medium:
n-octanol
Solubility:
> 33.83 - <= 34.63 g/L
Temp.:
20 °C
Key result
Medium:
acetonitrile
Solubility:
> 1 000 mg/L
Temp.:
20 °C
Conclusions:
The approximate solubility of DPX-X1179 was determined in acetone, ethyl acetate, methanol, dichloromethane, o-xylene, n-hexane, n-octanol and acetonitrile using the preliminary solubility test described in OECD Guideline 105. The preliminary test showed the solubility of DPX-X1179 in ethyl acetate, o-xylene, n-hexane and n-octanol to be <250 g/L, in methanol, dichloromethane and acetonitrile to be >1000 g/L and in acetone to be > 200 g/L at 20 ± 0.5°C. The actual solubility of DPX-X1179 was determined following the performance of the preliminary solubility test using either the shake flask method or the column elution method. The solubility of DPX-X1179 in the following solvents at 20 ± 0.5°C was determined to be: acetone: 794.54 ± 4.30 g/L; ethyl acetate: 199.91 ± 5.3 g/L; methanol: >1000 g/L; dichloromethane: >1000 g/L; o-xylene 7.09 ± 0.2 g/L; n-hexane: 0.00131 ± 1.3 x 10-4 g/L; n-octanol: 34.23 ± 0.4 g/L; acetonitrile: >1000 g/L.
Executive summary:

The approximate solubility of DPX-X1179 was determined in acetone, ethyl acetate, methanol, dichloromethane, o-xylene, n-hexane, n-octanol and acetonitrile using the preliminary solubility test described in OECD Guideline 105. The preliminary test showed the solubility of DPX-X1179 in ethyl acetate, o-xylene, n-hexane and n-octanol to be <250 g/L, in methanol, dichloromethane and acetonitrile to be >1000 g/L and in acetone to be > 200 g/L at 20 ± 0.5°C.  The actual solubility of DPX-X1179 was determined following the performance of the preliminary solubility test using either the shake flask method or the column elution method. The solubility of DPX-X1179 in the following solvents at 20 ± 0.5°C was determined to be:  acetone: 794.54 ± 4.30 g/L; ethyl acetate: 199.91 ± 5.3 g/L; methanol: >1000 g/L; dichloromethane: >1000 g/L; o-xylene 7.09 ± 0.2 g/L; n-hexane: 0.00131 ± 1.3 x 10 -4 g/L; n-octanol: 34.23 ± 0.4 g/L; acetonitrile: >1000 g/L.

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
October 11, 2000- May 1, 2001
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
other: OECD 105
Version / remarks:
1995
Qualifier:
according to guideline
Guideline:
other: EEC A.6
Version / remarks:
1992
GLP compliance:
yes (incl. QA statement)
Specific details on test material used for the study:
Methomyl
DPX-X1179-512
Purity 98.02%
Key result
Medium:
acetone
Solubility:
> 250 g/kg solvent
Temp.:
20 °C
Remarks on result:
other: Definitive solubility value not determined
Key result
Medium:
acetonitrile
Solubility:
> 250 g/kg solvent
Temp.:
20 °C
Remarks on result:
other:
Remarks:
Definitive solubility value not determined
Key result
Medium:
dimethylformamide
Solubility:
> 250 g/kg solvent
Temp.:
20 °C
Remarks on result:
other: Definitive solubility value not determined
Key result
Medium:
methanol
Solubility:
> 250 g/kg solvent
Temp.:
20 °C
Remarks on result:
other: Definitive solubility value not determined
Key result
Medium:
other: dichloromethane
Solubility:
> 250 g/kg solvent
Temp.:
20 °C
Remarks on result:
other: Definitive solubility value not determined
Key result
Medium:
ethyl acetate
Solubility:
ca. 77 400 mg/L
Temp.:
20 °C
Key result
Medium:
n-octanol
Solubility:
ca. 24 000 mg/L
Temp.:
20 °C
Key result
Medium:
other: n-heptane
Solubility:
ca. 97.1 mg/L
Temp.:
20 °C
Key result
Medium:
other: o-xylene
Solubility:
ca. 9 580 mg/L
Temp.:
20 °C
Conclusions:
The solubility of methomyl was determined to be 77400 mg/L in ethyl acetate, 97.1 mg/L in n-heptane, 24000 mg/L in 1-octanol and 9580 mg/L in oxylene. Excess test substance was present in the test containers at each sample point for these four solvents. A minimum of three consecutive data points had concentrations within 5% of the average solubility for each solvent. The solubility of methomyl in acetone, acetonitrile, dichloromethane, dimethylformamide and methanol was determined to be greater than 250 grams of compound per kilogram of solvent. Definitive solubility values for these solvents were not determined; solubility was reported as > 250g/kg (European Union Commission Directive 91/414/EEC Annex IIA Point 2.7. as amended by Directive 94/37/EC, 22 July 1994).
Executive summary:

This study determined the solubility of methomyl (DPX-X1179) in organic solvents as per OECD guideline 105 and EEC guideline A.6. The solubility of methomyl was determined to be 7.74 x 104 mg/L in ethyl acetate, 9.71 x 101 mg/L in n-heptane, 2.40 x 104 mg/L in 1 -octanol and 9.58 x 103 mg/L in o-xylene. Excess test substance was present in the test containers at each sample point for these four solvents. A minimum of three consecutive data points had concentrations within 5% of the average solubility for each solvent. The solubility of methomyl in acetone, acetonitrile, dichloromethane, dimethylformamide and methanol was determined to be greater than 250 grams of compound per kilogram of solvent. Definitive solubility values for these solvents were not determined; solubility was reported as > 250g/kg (European Union Commission Directive 91/414/EEC Annex IIA Point 2.7. as amended by Directive 94/37/EC, 22 July 1994).

Description of key information

OECD 105; EEC A.6; OPPTS 830.7840

Key value for chemical safety assessment

Additional information

Solubility of test material at 20°C:

acetone: >250 g/kg solvent

acetonitrile: >250 g/kg solvent

dimethylformamide: >250 g/kg solvent

methanol: >250 g/kg solvent

dichloromethane: >250 g/kg solvent

ethylacetate: 7.74 x 104 g/L

n-heptane: 97.1 mg/L

1 -octanol: 2.40 x 104 mg/L

o-xylene: 9.58 x 103 g/L

n-hexane: 0.00131 x 10-4 g/L