Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
01/03/2018-02/03/2018
Reliability:
1 (reliable without restriction)
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
Justification for type of information:
No experimental study has been performed but reliable QSAR: please refer to Attached Justification enclosed document.

Data source

Reference
Reference Type:
other: In Silico study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
QSAR model adapted specifically from test guideline: OECD 105

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Water solubility
Key result
Water solubility:
ca. 36.2 other: kg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: 95% confidence interval (α = 0.05): 29.6 - 44.3 kg/L

Applicant's summary and conclusion

Conclusions:
The water solubility of (2S,3R)-BUTANE-1,2,3,4-TETROL was predicted as 36.2 kg/L (miscible) at 25°C.
Executive summary:

Prediction for OECD 105 test results by Holistic HA QSAR iSaferat

The water solubility of (2S,3R)-BUTANE-1,2,3,4-TETROL was predicted as 36.2 kg/L (miscible) at 25°C.