1-(5-propyl-1,3-benzodioxol-2-yl)-1-ethanone

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06-11 February 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP, but with deviation on loading rate. The substance is adequately characterised. Threfore validation applies with restrictions.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

loading rate >> 5x preliminary

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

yes

Remarks:

loading rate >> 5x preliminary

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on June 3 to 5, 2013 / signed on November 5, 2013

Type of method:

flask method

Specific details on test material used for the study:

STORAGE CONDITIONS OF TEST MATERIAL
6 ± 2 °C, protected from light, under nitrogen in the original container

Key result

Water solubility:

2.16 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

125 g/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

4.1

Details on results:

The analytical method was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity:
System quantification limit = 5 mg/L
Limit of Quantification = 200 mg/L.
Linearity
Range: 5 – 200 mg/L with r2 = 0.99989 (n=7)
Accuracy
Recovery rates were 91% for the 1 x LOQ (RSD=5.0%) and 101 % for the 10 x LOQ (RSD=0.32 %).
Specificity
The analyte spectra of the samples matched with standard spectra with sufficient confirmation of identity. Response of blank values of control samples was significantly lower than 30% of LOQ.

Table 4.8/1: Water Solubility Results at 20 °C

 

Preincubation time	Replicate No.	Test item (mg/L)
		Concentration^1	Mean
24 h	1	2158	2180
	2	2201
48 h	1	2175	2158
	2	2141
72 h	1	2137	2140
	2	2144
Mean (24 - 72 h)			2159
Maximum deviation [%] (24 - 72 h)			1.9

 

¹Mean value of triplicate samples each double injected; mean value of duplicate samples for replicate 1 at 72 h due to an identified outlier (GRUBBS-test)

Tyndall effect was negative for all samples. Measured pH was 4.1 for all samples.

Conclusions:

Soluble (> 1 g/L).

Executive summary:

The water solubility of the test substance was measured under GLP according OECD 105 / EU A6 guideline, using the flask method, in double distilled water, at 20°C with preincubation at 30°C. Three measurements were performed at 24, 48 and 72 h, with duplicate analysis.

The analytical method (HPLC-DAD, external standard) for the determination of the test substance was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity.

Equilibrium was considered achieved at first sampling interval (24h).

 

The water solubility of the test substance was determined to be 2.16 g/L (20°C, pH 4.1).

Description of key information

Soluble, with rapid dissolution (equilibrium reached <=24h). pH of saturated solution: 4.1.

Key value for chemical safety assessment

Water solubility:

2.16 g/L

at the temperature of:

20 °C

Additional information

A reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. Despite deviation on testing conditions, it is considered as a key study. The result is retained as key data