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Diss Factsheets

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:
7 July 1993 - 28 September 1994
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1995
Report date:
1995

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 105
Version / remarks:
with modifications to allow solubility in organic solvents to be determined
Qualifier:
according to guideline
Guideline:
other: EU Method A.6 (Water Solubility)
Version / remarks:
with modifications to allow solubility in organic solvents to be determined
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
Simazine
EC Number:
204-535-2
EC Name:
Simazine
Cas Number:
122-34-9
Molecular formula:
C7H12ClN5
IUPAC Name:
6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Test material: Simazine (pure)
- Appearance: White powder
- Batch No.of test material: Ref 766
- Expiration date of the batch: Two years from date of manufacture
- Purity: 99.5%

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In the dark at 4°C

Results and discussion

Solubility in organic solvents / fat solubilityopen allclose all
Medium:
acetone
Solubility:
1.32 g/L
Temp.:
20 °C
Remarks on result:
other: Mean result
Medium:
other: dichloromethane
Solubility:
0.576 g/L
Temp.:
20 °C
Remarks on result:
other: Mean result
Medium:
ethyl acetate
Solubility:
0.852 g/L
Temp.:
20 °C
Remarks on result:
other: Mean result
Medium:
other: hexane
Solubility:
0.001 g/L
Temp.:
20 °C
Remarks on result:
other: Mean result
Medium:
methanol
Solubility:
0.694 g/L
Temp.:
20 °C
Remarks on result:
other: Mean result
Medium:
toluene
Solubility:
0.111 g/L
Temp.:
20 °C
Remarks on result:
other: Mean result
Test substance stable:
yes
Details on results:
Calibration data gave correlation coefficients of 0.99984, 0.99989, 0.99925 and 0.99925 respectively, showing the detector response to be linear in the concentration ranges employed. Quality control data yielded a mean % of the nominal concentration of 99.6%.

Solvent blanks exhibited no peaks at the characteristic retention volume of simazine, showing the analytical methods to be free from interferences.

Applicant's summary and conclusion

Conclusions:
The solubility of simazine (pure) in acetone is 1.32 g/L at 20°C.
The solubility of simazine (pure) in dichloromethane is 0.576 g/L at 20°C.
The solubility of simazine (pure) in ethyl acetate is 0.852 g/L at 20°C.
The solubility of simazine (pure) in hexane is 7.36E-04 g/L at 20°C.
The solubility of simazine (pure) in methanol is 0.694 g/L at 20°C.
The solubility of simazine (pure) in toluene is 0.111 g/L at 20°C.