Reaction mass of 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl- & chloride

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

26-02-2018 – 01-03-2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard test guidelines

Qualifier:

according to guideline

Guideline:

other: spectrophotometric analytical method

Principles of method if other than guideline:

The water solubility determination of test item [2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl][3-[[2-cyano-3-[4- (diethylamino)phenyl]- 1-oxoallyl]oxy]propyl]dimethylammonium chloride was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101.

GLP compliance:

no

Type of method:

other: spectrophotometric analytical method

Specific details on test material used for the study:

- Name of test material : Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride- Molecular formula : C35H46ClN5O4- Molecular weight : 636.232 g/mol- Smiles notation : C(CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O)[N+](C)(C)CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O.[ClH-]- InChl : 1S/C35H46N5O4.ClH/c1-7-38(8-2)32-16-12-28(13-17-32)24-30(26-36)34(41)43-22-11-20-40(5,6)21-23-44-35(42)31(27-37)25-29-14-18-33(19-15-29)39(9-3)10-4;/h12-19,24-25H,7-11,20-23H2,1-6H3;1H/q+1;/p-1/b30-24+,31-25+;- Substance type: Organic- Physical state: Liquid

Key result

Water solubility:

109 002.4 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: No other detail available

Sample stirring	Concentration obtained on	Dilution factor	Solubility value obtained
	the basis of standard curve		(mg/L)
24 hour	-	-	-
48 hour	13.4587	8000	107669.6
72 hour	13.7919	8000	110335.2

Conclusions:

The water solubilitydetermination of test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was done by spectrophotometric method. The water solubility was determine to be 109002.4 mg/L at 25°C.

Executive summary:

The water solubility determination of test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was done as per the OECD

guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of ([2 -[[2 -cyano-3 -[4 -

(diethylamino)phenyl]-1 -oxoallyl]oxy]ethyl][3 -[[2 -cyano-3 -[4 -(diethylamino)phenyl]-1 -oxoallyl]oxy]propyl]dimethylammonium

chloridein water was determine to be 109002.4 mg/L at 25°C.

From this solubility value it is concluded that chemical Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride is very soluble in water.

Description of key information

The water solubilitydetermination of test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was done by spectrophotometric method. The water solubility was determine to be 109002.4 mg/L at 25°C.

Key value for chemical safety assessment

Water solubility:

109 002.4 mg/L

at the temperature of:

25 °C

Additional information

The water solubility determination of test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was done as per the OECD

guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of ([2 -[[2 -cyano-3 -[4 -

(diethylamino)phenyl]-1 -oxoallyl]oxy]ethyl][3 -[[2 -cyano-3 -[4 -(diethylamino)phenyl]-1 -oxoallyl]oxy]propyl]dimethylammonium

chloride in water was determine to be 109002.4 mg/L at 25°C.

From this solubility value it is concluded that chemical Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride of is very soluble in water.