Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification

Data source

Reference
Reference Type:
other: (Q)SAR report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
see section justification

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2'-ethylenedithiodiethanol
EC Number:
226-045-8
EC Name:
2,2'-ethylenedithiodiethanol
Cas Number:
5244-34-8
Molecular formula:
C6H14O2S2
IUPAC Name:
2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethan-1-ol

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
ca. 0.251 other: mol/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.251 other:
Incubation duration:
ca. 1 h
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: (Q)SAR OPERA
Key result
Water solubility:
ca. 45.76 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
45.76 g/L
Incubation duration:
1 h
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other:
Remarks:
(Q)SAR OPERA

Applicant's summary and conclusion

Conclusions:
water solubility by (Q)SAR 45,76 g/L