Cyclohexadecen-1-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2005-01-22 to 2005-02-02

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Key result

Water solubility:

0.982 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

7

Preliminary Test

Preliminary test in pure water (1000 g/L to 0.01 g/L)

Test Item [mg]	total volume of water [mL]	time of shaking [min]	remarks	Approx. solubility [g/L]
100	0.1	10	not dissolved completely	> 1000
100	0.5	10	not dissolvedcompletely	1000 to 200
100	1	10	not dissolved completely	200 to 100
100	2	10	not dissolved completely	100 to 50
100	10	10	not dissolved completely	50 to 10
100	100	1 [h]	not dissolved completely	10 to 1
100	1000	12 [h]	not dissolved completely	1 to 0.1
10	1000	72 [h]	not dissolved completely	< 0.01

Therefore, the approximate solubility of the test item was estimated to be below 0.01 g/L at 20 °C.

Main Test

The solubility of test item was determined in water at neutral pH (distilled water being in equilibrium with atmospheric carbon dioxide) at 10, 20 and 30 °C.

Solubility in water at neutral pH (distilled water being in equilibrium with atmospheric carbon dioxide) at 10, 20 and 30 °C.

 

Temperature [°C]	10	20	30
pH	5.60	5.56	5.61
Solubility [mg/L]	0.719	0.705	0.706
In % of solubility at 20°C	102	100	100
%/°C	0.1

The pH dependency in the range of 4 — 10 was determined in buffered systems (0.05 M) at 20 °C.

pH	4.00	7.03	9.02
Temperature [°C]	20	20	20
Solubility [mg/L]	0.863	0.982	1.830

In conclusion the water solubility is apparently not dependent on temperature but slightly dependent on pH-value.

Conclusions:

The water solubility of the test item was determined to be 0.982 mg/L at 20 °C and pH 7.0.

Executive summary:

The water solubility of the test item was determined according to OECD 105 (1995) using a column elution method based on a preliminary test showing the water solubility lower than 10 mg/L. The test was performed under GLP. The concentrations were analyzed via GC-MS after reaching equilibration state. The water solubility of the test item was determined to be 0.982 mg/L at 20 °C and pH 7.0. The solubility of test item was determined in water at neutral pH (distilled water being in equilibrium with atmospheric carbon dioxide) at 10, 20 and 30 °C. It showed that the water solubility of the test item is not dependent on temperature, but slightly dependent on pH-value.

Key value for chemical safety assessment

Water solubility:

0.982 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test item was determined according to OECD 105 (1995) using a column elution method based on a preliminary test showing the water solubility lower than 10 mg/L. The test was performed under GLP. The concentrations were analyzed via GC-MS after reaching equilibration state. The water solubility of the test item was determined to be 0.982 mg/L at 20 °C and pH 7.0. The solubility of test item was determined in water at neutral pH (distilled water being in equilibrium with atmospheric carbon dioxide) at 10, 20 and 30 °C. It showed that the water solubility of the test item is not dependent on temperature, but slightly dependent on pH-value.