Benzenamine, reaction products with aniline hydrochloride and nitrobenzene, hydrochlorides

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

calculation (if not (Q)SAR)

Remarks:

Estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Internationally accepted method, EPI-Suite EPA (USA)

Principles of method if other than guideline:

EPI-Suite WSKOW v1.43

Type of method:

other: estimated by calculation

Key result

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: Water solubility EPISUITE = 4.03E-008 mg/L at 25 ºC (WSKOW v1.43) log Kow used: 9.78 (estimated)

Estimated by calculation. No data provided on the temperature.

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
Water solubility EPISUITE = 4.03E-008 mg/L at 25 ºC (WSKOW v1.43)
log Kow used: 9.78 (estimated)

Executive summary:

Water solubility EPISUITE = 4.03E-008 mg/L at 25 ºC (WSKOW v1.43)

log Kow used: 9.78 (estimated)

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: OECD guideline and EU method. GLP study.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

8 other: g C/L

Temp.:

20 °C

pH:

ca. 4

Remarks on result:

other: Measured TOC: 8 g C/L

Key result

Water solubility:

1.6 other: g C/L

Temp.:

20 °C

pH:

ca. 7

Remarks on result:

other: Measured TOC: 1.6 g C/L

Key result

Water solubility:

2 other: mg C/L

Temp.:

20 °C

pH:

ca. 10

Remarks on result:

other: Measured TOC: 2 mg C/L

Details on results:

The measured water solubility (as TOC value) of the test item strongly depends on the pH values. At 20 ºC , depending on the pH value the solubility equals as follows:
at pH about 4 the TOC is equal to about 8.0 g C/l
at pH about 7 the TOC is equal to about 1.6 g C/l
at pH about 10 the TOC is equal to about 2 mg C/l

For each of the pH tested, as the loading increases the TOC value decreases what may be a result of decreasing pH values. Probably, the test item contains an acidic compound(s) which dissolving in buffers lowers the pH value of the test solutions. The TOC values strongly depends on the pH values. It is expected that the test item principal constituents are of low water solubility, but one or more of minority of constituents is an acid compound of slightly better water solubility.

Conclusions:

Interpretation of results: The test item principal constituents are of low water solubility, but one or more of minority of constituents is an acid compound of slightly better water solubility.
For each of the pH tested, as the loading increases the TOC value decreases what may be a result of decreasing pH values. Probably, the test item contains an acidic compound(s) which dissolving in buffers lowers the pH value of the test solutions. The TOC values strongly depends on the pH values.
It is expected that the test item principal constituents are of low water solubility, but one or more of minority of constituents is an acid compound of slightly better water solubility.

Executive summary:

The water solubility determination of the test substance was carried out using the shake flask method according to OECD guideline 105 an EU method A.6. Five loading rates were chosen to study the effect of loading rate on the measured water solubility of the test item. All the components were analysed using a non-discriminating method (TOC) in order to quantify the total amount of test item solubilized. The pH and the TOC values of the solutions obtained, by centrifugal separation from these suspensions, were measured. For each of the pH tested, as the loading increases the TOC value decreases what may be a result of decreasing pH values. Probably, the test item contains an acidic compound(s) which dissolving in buffers lowers the pH value of the test solutions. The TOC values strongly depends on the pH values. It is expected that the test item principal constituents are of low water solubility, but one or more of minority of constituents is an acid compound of slightly better water solubility.

Description of key information

Key study: OECD guideline and EU method. GLP study.

For each of the pH tested, as the loading increases the TOC value decreases what may be a result of decreasing pH values. Probably, the test item contains an acidic compound(s) which dissolving in buffers lowers the pH value of the test solutions. The TOC values strongly depends on the pH values. It is expected that the test item principal constituents are of low water solubility, but one or more of minority of constituents is an acid compound of slightly better water solubility.

Estimated value for the main component of the substance:

Water solubility EPISUITE = 4.03E-008 mg/L at 25 ºC (WSKOW v1.43)

log Kow used: 9.78 (estimated)

Key value for chemical safety assessment

Water solubility:

0 mg/L

at the temperature of:

25 °C

Additional information

Key study: OECD guideline and EU method. GLP study.

For each of the pH tested, as the loading increases the TOC value decreases what may be a result of decreasing pH values. Probably, the test item contains an acidic compound(s) which dissolving in buffers lowers the pH value of the test solutions. The TOC values strongly depends on the pH values. It is expected that the test item principal constituents are of low water solubility, but one or more of minority of constituents is an acid compound of slightly better water solubility.

Main component 1: Water solubility EPISUITE = 4.03E-008 mg/L at 25 ºC (WSKOW v1.43)

log Kow used: 9.78 (estimated)