Reaction mass of 1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-2-naphthol and 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-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:

19 to 23 June 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

2014

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Staatliches Gewerbeaufsichtsamt Hildesheim, Hildesheim, Germany

Type of method:

flask method

Key result

Water solubility:

211 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

7.2

Check of the temperature

Temperature at Pre-Incubation (30 °C) and Thermostatisation Phase (20 °C) (measured hourly)

Intended temperature [°C]	Measured temperature. [°C]
	min.	max.	Mean value ± SD
30.0 ±0.5	29.78	30.10	30.04 ± 0.05
20.0 ± 0.5	19.93	20.17	19.96 ± 0.05

 

 

Check of the pH-Value

The pH-values were determined with the remaining test item mixtures in the original test vessels, which were kept constant at 20 ± 0.5 °C.

Test temperature [°C]	Pre-incubation time [h]	Replicate	Measured pH	Mean value
20	24	1	7.060	7.2
		2	7.219
	48	1	7.310
		2	7.324
	72	1	7.304
		2	7.250
		Control	7.217	-

 

 

Water Solubility Results

No significant signals were obtained for the control sample.

 

The water solubility results at 20 °C for the test item are reported in the following table.

 

Preincubation time	Replicate No.	Concentration (1) [mg/L]	Mean [mg/L]
24 h	1	207	214
	2	221
48 h	1	205	205
	2	206
72 h	1	216	213
	2	211
Mean (24 - 72 h)			211
Deviation [%] (24 - 72 h)			4.1

(1) Mean value of two injections, dilution factor of 10 and exact weight of the standard taken into account

 

Conclusion

The solubility of the test item was determined at 20 ± 0.5 °C to be 211 mg/L (pH 7.2).

Conclusions:

A water solubility value of 211 mg/L (at 20 °C, pH = 7.2) was determined for the test substance according to OECD 105.

Executive summary:

The water solubility of the test item for the temperatures 20 °C was determined according to OECD 105 and GLP using a flask method with pre-incubation at 30°C. The concentrations were verified via HPLC-DAD method. The test item was quantified based on the sum of three signals.

Description of key information

Water solubility: 211 mg/L at 20 °C, pH = 7.2 (OECD 105, flask method)

Key value for chemical safety assessment

Water solubility:

211 mg/L

at the temperature of:

20 °C

Additional information

According to OECD 105 and GLP, the water solubility of the test item for the temperatures 20 °C was determined using a flask method with pre-incubation at 30°C. The concentrations were verified via HPLC-DAD method. The test item was quantified based on the sum of three signals.