Reaction mass of (E)-3-methylcyclotetradec-5-en-1-one and (Z)-3-methylcyclotetradec-5-en-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:

March 15, 2004 to April 7, 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

conducted under GLP conditions

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Aspect : colourless to pale yellow liquid
Lot No. : TQT 0300497
Purity : 90.9 % (GC, sum of the two isomers)
Expiration date : November 28, 2004

Key result

Water solubility:

4.6 mg/L

Conc. based on:

test mat.

Incubation duration:

>= 168 - <= 457 h

Temp.:

20 °C

pH:

7

Details on results:

Preliminary test results:
A dispersion of 104.1 mg of KARMALONE in 100 ml of deionised water remained turbid after a 24-hour agitation (magnetic stirring) at room temperature. Consequently, the water solubility of KARMALONE is below 1041 mg/l.

At the end of the experiment, it was seen that the ratio between the two peaks of KARMALONE remained constant even in saturated solutions. Thus the response finally considered was the sum of the two peaks areas over the internal standard (ISTD) peak area.

Contact time [hours]	Concentration in water (bottle No. 1) [mg/l]	Concentration in water (bottle No. 2) [mg/l]	Concentration in ISO-medium (bottle No. 3) [mg/l]
168	4.4	4.6	-*
241	4.6	4.7	4.9
292	4.5	4.3	4.8
340	4.9	4.7	4.8
408	4.7	4.4	4.7
457	4.7	4.7	4.7

All tabulated values represent rounded-off results obtained by calculations based on the exact raw data.

 

The pH values of the solutions in double-distilled water at the end of the test were all approximately 5. The pH value of the solution in reconstituted water at the end of the experiment was 7. 

They were measured with indicator paper because pH measurements with a glass electrode in a high electrical resistivity medium (double-distilled water) are not reliable.

Conclusions:

The average of the concentrations measured between 168 and 457 hours in the two flasks, 4.60 mg/l, was considered to represent the water solubility of KARMALONE. After rounding off:
Solubility of KARMALONE in water at 20°C: 4.6 mg/l
The average of the concentrations measured between 241 and 457 hours, 4.79 mg/l, was considered to represent the solubility of KARMALONE in ISO-medium.
After rounding off:
Solubility of KARMALONE in ISO-medium at 20°C: 4.8 mg/l

Executive summary:

The solubility of KARMALONE in pure water and in reconstituted water according to ISO 6341 was determined according to the OECD Guideline No. 105 (flask method).

The results are:       water solubility : 4.6 mg/l at 20 °C

                                   solubility in reconstituted water (ISO 6341) : 4.8 mg/l at 20 °C.

These results correspond to the saturation mass concentrations of KARMALONE in pure water and reconstituted water at 20 °C.

Description of key information

The solubility of KARMALONE in pure water and in reconstituted water according to ISO 6341 was determined according to the OECD Guideline No. 105 (flask method).

The results are:       water solubility : 4.6 mg/l at 20 °C

                                   solubility in reconstituted water (ISO 6341) : 4.8 mg/l at 20 °C.

 

These results correspond to the saturation mass concentrations of KARMALONE in pure water and reconstituted water at 20 °C.

Key value for chemical safety assessment

Water solubility:

4.6 mg/L

at the temperature of:

20 °C