5,6,7-TRIMETHYLOCTA-2,5-DIEN-4-ONE

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 16 February 2004 to 12 March 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2004

Report date:

2004

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

(2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one

Cas Number:

357650-26-1

Molecular formula:

C11H18O

IUPAC Name:

(2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one

Constituent 2

Reference substance name:

(2E,5E)-5,6,7-trimethylocta-2,5-dien-4-one

Cas Number:

847144-75-6

Molecular formula:

C11H18O

IUPAC Name:

(2E,5E)-5,6,7-trimethylocta-2,5-dien-4-one

Test material form:

liquid

Specific details on test material used for the study:

Aspect: Colourless to pale yellow liquid
Purity: 96.7% (sum of the two major peaks)
Expiration date: September 12, 2004

Results and discussion

Water solubility

Water solubility:

0.65 g/L

Conc. based on:

test mat.

Incubation duration:

>= 449 - <= 545 h

Temp.:

20 °C

pH:

7

Details on results:

Preliminary test results:
A dispersion of 108.6 mg of GR84-2517 in 100 mL of deionised water remained turbid after 24 hour agitation period (magneting stirring) at room temperature. Consequently, the water solubility of GR-85-2517 is below 1086 mg/L.

Any other information on results incl. tables

The result are exposed in the table below:

contact time (hours)	Concentration in water (bottle No 1) (mg/L)	Concentration in water (bottle No 1) (mg/L)	Concentratin in Iso-Medium (bottle No 3) (mg /L)
336	547	642	633
379	621	648	642
449	645	652	647
499	654	657	642
545	650	651	648

All tabulated values represent the round 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 approximetaly 4. The pH value of the solution in reconstitued water at the end of the experiment was 7.

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

Applicant's summary and conclusion

Conclusions:

The result and curves show that there is no significant change of the measured concentrations from 449 hours to 545 hours. Thus it can be concluded that the equilibrium is reached after 449 hours of contacting time.
The average of the concentrations measured at 449, 499 and 545 hours in the two flasks, 652 mg/l, was considered to represent the water solubility of GR-85-2517. After rounding off.

Solubility of GR-85-2517 in water at 20°C: 0.65 g/L

The average concentration measured at 449, 499 and 545 hours in the ISO-Medium flasks, 645 mg/L was considered to represent the solubility of GR 85-2517 in ISO-Medium. After rounding off:

Solubility of GR 85-2517 in ISO-Medium at 20°C: 0.65 g/L

Executive summary:

The solubility of GR 85 -2517 in pure water and in reconstitued water according to ISO 6341 was determined according to OECD Guideline No 105 (Flask method).

The results are : solubility in water 0.65 g/L at 20 °C

solubility in reconstitued water (ISO 6341): 0.65 g/L at 20°C

These results correspond to the saturation mass concentration of GR 85 -2517 in pure water and reconstitued water at 20°C