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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Water solubility

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Administrative data

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Endpoint:
water solubility
Type of information:
other: handbook data
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
handbook data, no further information available
GLP compliance:
no
Type of method:
other: no information available
Specific details on test material used for the study:
not applicable
Water solubility:
ca. 196 g/L
Conc. based on:
not specified
Temp.:
14.5 °C
Remarks on result:
other: 19.6 G/100 CC
Water solubility:
ca. 833 g/L
Conc. based on:
not specified
Temp.:
100 °C
Remarks on result:
other: 83.3 G/100 CC
Conclusions:
The water solubility of Ammonium Benzoate is 196 g/L at 14.5 °C and 833 g/L at 100 °C.
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
Justification for type of information:
1. SOFTWARE
Epi Web 4.11
2. MODEL (incl. version number)
WSKOW v1.42
and
WATERNT v1.01
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N(H)(H)(H)(H)OC(=O)c1ccccc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
well established program/model released by US governmental department
5. APPLICABILITY DOMAIN
ionogenic substances/charged compounds out of domain.
6. ADEQUACY OF THE RESULT
The results do not match the reported handbook data and are rated as not adequate
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR calculation tool used, in silico method
GLP compliance:
no
Type of method:
other: not applicable
Specific details on test material used for the study:
not applicable
Water solubility:
ca. 1 000 g/L
Conc. based on:
not specified
Temp.:
25 °C
Remarks on result:
other: WSKOW v1.42
Water solubility:
ca. 5 632.5 mg/L
Temp.:
25 °C
Remarks on result:
other: WATERNT v1.01
Conclusions:
based on the applied model, the water solubility for Ammonium Benzoate is calculated to be 5.6 g/L or 1000 g/L

Description of key information

Handbook data available and used for assessment.

QSAR calculation is not applicable.

Key value for chemical safety assessment

Water solubility:
196 g/L
at the temperature of:
25 °C

Additional information