(2α,4aα,8α)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-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:

2016-10-10 to 2016-10-15

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

17.6 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

6.5

Remarks on result:

other: Overall mean water solubility of measurements of 24, 48 and 72h

The details of the results are presented here:

Stirring time at 30°C [h]	Replicate	Weighed amount of test item [mg]	pH value of test item solution	Measured concentration [mg/L]	Water solubility Mean value [mg/L]	Overall Mean ± Std. Dev. [mg/L]	± Rel. Std. Dev. [%]
72	1	15.61	6.4	16.7	16.75	17.6 ± 0.8	± 5
	2	16.47	6.42	16.8
	3	16.64	6.42	12.1 (a)
48	1	21.01	6.8	20.2	17.7
	2	18.16	6.4	17.2
	3	17.81	6.41	15.7
24	1	15.62	6.5	17.1	18.3
	2	16.16	6.61	19.7
	3	17.89	6.55	18.2

The details of the calibration data are presented here:

Concentration of Test Item [mg/L]	Sum of Peak Areas   [counts]	Deviation of Calculated from Effective Value [%]
1.63	17517	7.8
3.46	39601	9.4
6.91	69074	-6.1
17.2	184405	-0.9
34.3	373338	0.4

The R² fit of the calibration curve used was 0.9995. This reflects the linearity of the analytical system within the calibration range of 1.63 – 34.3 mg test item /L.

The relative standard deviation was found to be 5 %. Thus, the acceptance criterion was fulfilled and the saturation was achieved after 24 hours.

Conclusions:

The water solubility of the test item was determined at 20 °C at a mean pH value of 6.5 using the shake flask method according to OECD 105.
The water solubility was found to be 17.6 mg/L ± 0.8 mg/L.

Description of key information

The water solubility of the test item was determined according to OECD 105, using the shake flask method. The test item showed a chromatographic profile consisting of several peaks. Two peaks were identified as the main components representing 93 % of the substance. The water solubility, based on the sum of the two main components, was measured to be 17.6 mg/L ± 0.8 mg/L at 20°C at a mean pH value of 6.5.

Key value for chemical safety assessment

Water solubility:

17.6 mg/L

at the temperature of:

20 °C