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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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

Constituent 1
Chemical structure
Reference substance name:
Erythritol
EC Number:
205-737-3
EC Name:
Erythritol
Cas Number:
149-32-6
Molecular formula:
C4H10O4
IUPAC Name:
butane-1,2,3,4-tetrol

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.