1,3,3-trimethylnorbornan-2-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:

03 April 2018 - 13 April 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

1.983 g/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

Remarks on result:

other: no pH reported

Details on results:

Mean water solubility of 3,3-Dimethyl-8,9-Dinorbornan-2-One in double distilled water was 1.9829 ± 0.0161 g/L at 20 ± 0.5ºC.
The test item was considered to be at equilibrium as the difference in concentration of the test item in the supernatants between the sampling intervals was less than 15%.

Table 1: Water Solubility of 3,3-Dimethyl-8,9-Dinorbornan-2–Definitive Test(Flask Method)

Solvent	Repli-cation	Solubility (g/L)				% Repeatability
		Sampling Duration			Overall Mean
		24 Hour	48 Hour	72 Hour		Between 24 & 48 h	Between 48 & 72 h
Double distilled water	R1	2.0049	1.9761	1.9754	1.9829 ± 0.0161	-1.59	0.04
	R2	2.0076	1.9713	1.9751
	R3	1.9992	1.9686	1.9680
	Mean ± s.d.	2.0039 ± 0.0043	1.9270 ± 0.0038	1.9728 ± 0.0042

Conclusions:

The solubility in double distilled water of the test substance was found to be 1.9829 g/L at 20ºC.

Executive summary:

The determination of water solubility of the test substance was performed in accordance with OECD test guideline 105. In a preliminary test, the test item was found to be soluble in double distilled water. About 1 g of test item was weighed in triplicate into separate conical flasks for each sampling interval of 24, 48 and 72 hours. 50 mL of double distilled water was added to respective sample sets and the test systems were stoppered and placed in an orbital shaking incubator maintained at 30°C for agitation at 130 rpm. Similarly, three control samples (50 mL of double distilled water taken in a separate stoppered conical flask) was taken during the study. At each sampling interval (24 hour, 48 hour and 72 hour), bottles were removed and kept for thermal equilibration at 20ºC for 24 hours. Then the samples were centrifuged at 20ºC and the concentration of the test substance in the clear aqueous phase was determined by a validated HPLC analytical method. The mean water solubility of the test item was determined to be 1.9829 ± 0.0161 g/L at 20 ± 0.5ºC.

Description of key information

Key study: Test method according to OECD 105, GLP study. The solubility in double distilled water of the test substance was found to be 1.9829 g/L at 20ºC.

Key value for chemical safety assessment

Water solubility:

1.983 g/L

at the temperature of:

20 °C

Additional information

Key study: The determination of water solubility of the test substance was performed in accordance with OECD test guideline 105. In a preliminary test, the test item was found to be soluble in double distilled water. About 1 g of test item was weighed in triplicate into separate conical flasks for each sampling interval of 24, 48 and 72 hours. 50 mL of double distilled water was added to respective sample sets and the test systems were stoppered and placed in an orbital shaking incubator maintained at 30°C for agitation at 130 rpm. Similarly, three control samples (50 mL of double distilled water taken in a separate stoppered conical flask) was taken during the study. At each sampling interval (24 hour, 48 hour and 72 hour), bottles were removed and kept for thermal equilibration at 20ºC for 24 hours. Then the samples were centrifuged at 20ºC and the concentration of the test substance in the clear aqueous phase was determined by a validated HPLC analytical method. The mean water solubility of the test item was determined to be 1.9829 ± 0.0161 g/L at 20 ± 0.5ºC.