4-allyl-2-methoxyphenyl acetate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental dates: October 19, 2017 to October 27, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognized method, and under GLP. No deviation was reported. The test substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No. 440/2008 and No. 260/2014

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on 20 & 21 June 2017 / signed on 04 September 2017

Type of method:

flask method

Specific details on test material used for the study:

The sample was tested as received.

Key result

Water solubility:

407 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

490 other: mg / 100 mL

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 5 - <= 5.1

Preliminary test

In a mixture of 97.5 mg in 100 mL water, the test item was not completely dissolved, while a mixture of 13.3 mg in 100 mL appeared to be dissolved.

The preliminary test showed that the water solubility of the test item is > 10 mg/l. Therefore the water solubility was determined by the flask method in the main test.

Main test

Experiment	24 h	48 h	72 h	Blank (72 h)
Amount of test item / mg	490.3	490.6	489.1	-
Amount of demineralized water / ml	100	100	100	5
Stirring time at 30 °C / h	24	48	72	72
pH at 22 °C	5.0	5.1	5.1	5.6
Measured concentration / mg/L	40.91 / 40.85	39.97 / 39.90	41.38 / 41.40	- / -
Mean concentration / mg/L	40.88	39.93	41.39	-
Dilution factor	10	10	10	10
Water solubility /g/L	408.8	399.3	413.9	-

 

The water solubility of the test item at 20 °C was determined to be 407 mg/l (± 7 mg/l; RSD = 1.8%).

Executive summary:

The water solubility of the test substance was measured under GLP according to OECD 105 / EU A6 guidelines, flask method.

Measurements were performed after 24, 48 and 72 h pre-incubation at 30°C, then equilibration at 20°C. Concentration was determined in duplicate for each of the three flasks, and the HPLC-UV analytical method was validated to some extent.

Equilibrium was found to be reached from 24 h, and the overall mean result was retained.

The water solubility was measured at 407 mg/L, at 20.0°C, pH of saturated solution ca 5.1.

Description of key information

Moderately soluble, with equilibrium reached at 24h. pH of saturated solution: ca 5.1.

Key value for chemical safety assessment

Water solubility:

407 mg/L

at the temperature of:

20 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study. The result is retained as key data