(4E)-4-methyl-5-(4-methylphenyl)pent-4-enal

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: 10-25 May 2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

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

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27th July 1995

Deviations:

yes

Remarks:

loading rate

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

yes

Remarks:

loading rate

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss GLP compliance programme (inspected on November 15 and 16, 2011/ signed on May 01, 2012)

Type of method:

flask method

Specific details on test material used for the study:

STORAGE CONDITIONS OF TEST MATERIAL
Refrigerator (between 0 and 10 °C under nitrogen).

Key result

Water solubility:

0.051 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

4 g/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 5.3 - <= 5.5

Preliminary test:

The preliminary test estimate of water solubility was <1 g/L.

Estimated water solubility (QSAR): 23.66 mg/L at 25 °C.

Definitive test:

Table 4.8/1: Water solubility – results

 

Sample solutions	Time equilibrated at 20 °C (hours)	Concentration (g/L)	pH
A/B/C	24	50.95	5.4/5.5/5.3
A/B/C	48	51.88	5.5/5.5/5.5
A/B/C	72	50.68	5.5/5.4/5.3

 

Mean concentration: 51.17 mg/L or 0.051 g/L at 20 ± 0.5 °C.

Executive summary:

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

Three measurements were performed at 24, 48 and 72 h, with triplicate analysis. Equilibrium was considered achieved, and the mean result was retained.

The water solubility of the test substance has been determined to be 51 mg/L, at 20°C, pH of saturated solution ca 5.4.

Description of key information

Slightly soluble, with equilibrium reached at 24h. pH of saturated solution: ca 5.4.

Key value for chemical safety assessment

Water solubility:

51 mg/L

at the temperature of:

20 °C

Additional information

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