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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
07/03/2018-08/03/2018
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
Guideline:
other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from test guideline: OECD 105)
Version / remarks:
WAF method
GLP compliance:
not specified
Specific details on test material used for the study:
Constituent glucose Smile : C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
Key result
Water solubility:
ca. 78 g/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Details on results:
Not specified
Executive summary:

The water solubility of glucose (determined by QSAR) is 78 (g test item.L-1) at 25°C

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
07/03/2018-08/03/2018
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
Guideline:
other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from test guideline: OECD 105)
Version / remarks:
WAF method
GLP compliance:
not specified
Specific details on test material used for the study:
Constituent sucrose Smile : C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
Key result
Water solubility:
ca. 90.9 g/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Details on results:
Not specified
Executive summary:

The water solubility of glucose (determined by QSAR) is 90.9 (g test item.L-1) at 25°C

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
07/03/2018-08/03/2018
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
Guideline:
other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from test guideline: OECD 105)
Version / remarks:
WAF method
GLP compliance:
not specified
Specific details on test material used for the study:
Constituent sodium chloride Smile : [Na+].[Cl-]
Key result
Water solubility:
ca. 281 g/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Details on results:
Not specified
Executive summary:

The water solubility of sodium chloride (determined by QSAR) is 281 (g test item.L-1) at 25°C

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
07/03/2018-08/03/2018
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
Guideline:
other: REACH Guidance on QSARs R.6 (QSPR model adapted specifically from test guideline: OECD 105)
Version / remarks:
WAF method
GLP compliance:
not specified
Specific details on test material used for the study:
Constituent citric acid Smile : C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Key result
Water solubility:
ca. 2.91 g/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Details on results:
Not specified
Executive summary:

The water solubility of citric acid (determined by QSAR) is 2.91 (g test item.L-1) at 25°C

Description of key information

Key value for chemical safety assessment

at the temperature of:
25 °C

Additional information