2-Propenal, 2-fluoro-3-(4-morpholinyl)-, (Z)-

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-10-18 to 2018-11-20

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

(2Z)-2-fluoro-3-(morpholin-4-yl)prop-2-enal

EC Number:

813-789-9

Cas Number:

152873-67-1

Molecular formula:

C7H10FNO2

IUPAC Name:

(2Z)-2-fluoro-3-(morpholin-4-yl)prop-2-enal

Test material form:

solid

Specific details on test material used for the study:

Name: Fluormorpholinylacrylaldehyd
Synonym: FMA / (2Z)-2-Fluor-3-(morpholin-4-yl)acrylaldehyd
Batch No.: BXR82PT
CAS-Nr.: 152873-67-1
Purity: 86.7%
Aggregate State at Room Temperature: Solid
Colour: Orange-brownish
Molecular Formula / Molecular Weight: C7H10FNO2 / 159.16 g/mol
Retest date: 01.11.2018 (Re-analysis ongoing)
Storage Conditions at Test Facility: After receipt at the test facility for 8 days at 4 ± 4 °C until storage recommendations were provided; thereafter at 20 +/- 5 °C in the dark

Results and discussion

Water solubility

Key result

Water solubility:

260 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

2 500 g/L

Incubation duration:

>= 24 h

Temp.:

20 °C

pH:

7

Applicant's summary and conclusion

Conclusions:

The water solubility at pH 7 was determined to be 260 g/L at 20 °C.

Executive summary:

Title: Fluormorpholinylacrylaldehyd: Determination of the Water Solubility at pH 7 by the Shake Flask Method

 Guidelines/Recommendations:

This study was based on the procedures indicated by the following internationally recognized documents:

OECD Guidelines for Testing of Chemicals, Guideline No.105, ”Water Solubility”; adopted July 27, 1995

Commission Regulation (EC) No 260/2014, Annex, Part A, Methods for the determination of physico-chemicals properties, A6 "Water Solubility", January 2014

Product Properties Test Guideline of the United States Environment Protection Agency (EPA), OPPTS 830.7840 Water Solubility: Column Elution Method; Shake Flask Method, March 1998

 Purpose: The purpose of this study was to evaluate the solubility of the test item in water at pH 7 which is specified by the saturation mass concentration of the test item in water at a specified temperature.

 Results:

The water solubility of the test item was determined using the shake flask method. The saturation mass concentrations of the test item were determined using UPLC / UV-VIS. The preliminary test with pure water and water buffered at pH 4, 7 and 9 showed that the pH-dependency is neglectable, therefore the main test was performed at pH 7.

The results showed no tendency to increase and met all validity criteria, therefore the study is considered to be valid. Corresponding to the analyses the water solubility at pH 7 was determined to be 260 g/L at 20 °C.

This study is classified acceptable and satisfies the guideline requirements for water solubility studies.