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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
EPI Suite TM v4.0
Author:
U.S. Environmental Protection Agency
Year:
2009
Bibliographic source:
http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm

Materials and methods

Principles of method if other than guideline:
WATERNT Program (v1.01)
GLP compliance:
no
Type of method:
other: (Q)SAR

Test material

Specific details on test material used for the study:
Smiles used for (Q)SAR: c32c(cc(C)cc3)Sc1cc(C)ccc1O2

Results and discussion

Water solubility
Water solubility:
ca. 0.14 mg/L
Temp.:
25 °C

Applicant's summary and conclusion

Conclusions:
The water solubilty of 2,8-Dimethylphenoxathiin has been calculated to be 0.14 mg/L at 25°C. Based on this result 2,8-Dimethylphenoxathiin has to be regarded as practically insoluble in water.