Oleic acid, compound with (Z)-octadec-9-enylamine (1:1)

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 Nov. 2017 - 14 Feb. 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Reference

Endpoint:

appearance / physical state / colour

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 Nov. 2017 - 14 Feb. 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Basic data given (comparable to guidelines/standards)

Reason / purpose for cross-reference:

reference to other study

Qualifier:

no guideline required

Principles of method if other than guideline:

The description of the physical state of the substance was based on a visual inspection.

GLP compliance:

no

Physical state at 20°C and 1013 hPa:

liquid

Remarks:

pasty

Form:

liquid

Colour:

brown

Substance type:

organic

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27-Jul-95

GLP compliance:

yes (incl. QA statement)

Remarks:

Hess. Ministerium für Umwelt, Energie, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Oleic acid, compound with (Z)-octadec-9-enylamine (1:1)

EC Number:

248-813-1

EC Name:

Oleic acid, compound with (Z)-octadec-9-enylamine (1:1)

Cas Number:

28065-97-6

Molecular formula:

C34H69NO2 C36H67NO2 C36H69NO2 C36H71NO2 C36H73NO2

IUPAC Name:

oleic acid, compound with (Z)-octadec-9-enylamine (1:1)

Results and discussion

Water solubility

Water solubility:

0.6 mg/L

Conc. based on:

element (dissolved fraction)

Remarks:

TOC

Incubation duration:

72 h

Temp.:

20 °C

pH:

5

Any other information on results incl. tables

Preliminary Test

The calculated water solubility of Oleylamine by EPISuite is 0.034 mg/L. Therefore a preliminary test was not performed.

Main Test

Table 1 Flask parameter

Flask	Stirring time	Weight in 100 mL
		[g]
1	23h 15 min	0.01313
2	48 h	0.01166
3	71 h 25 min	0.01205

 

Table 2 Measured and calculated concentrations

Description	Dilution factor	Measured^1conc.	Calculated^2conc.
	[/]	[mg/L]	[mg/L]
Control	1	0.4297	0.0000
Flask 1	1	0.8494	0.4197
Flask 2	1	0.6551	0.2254
Flask 3	1	0.9447	0.5150

¹:Average of three measurements.         

²: Measured conc. minus measured conc. control.

Due to the fact that the measured concentration decrease from flask 1 to 2 by 46 % and afterwards increase from flask 2 to 3 above the concentration level of flask 1, flask 2 is not considered for further calculations.

Table 3: Mean concentration and deviations

Average	SD	RSD	Difference between vessel 1 and 3
[mg/L]	[mg/L]	[%]	[%]
0.4673	0.0476	10.19	18.5

 

Table 4: Theoretical element composition

Molecular formula (Test item)	C36H71NO2
Element	Molecular weight (Element)	Element number count	Molecular weight (Test item)	Percent by Weight
	[g/mol]		[g/mol]	[%]
C	12.011	36	432.396	78.62
H	1.0079	71	71.561	13.01
N	14.0067	1	14.007	2.55
O	15.9994	2	31.999	5.82
	Sum molecular weight:		549.962

 

Table 5: Test item concentration

Average	Percent by Weight of Carbon	Calculated conc. of test item
[mg/L]	[%]	[mg/L]
0.4673	78.62	0.5944

 

Discussion

The water solubility of the test item is 0.6 mg/L at pH 5.0

The criterion of the OECD 105 “If the concentrations measured in at least the two last vessels do not differ by more than 15%, the test is satisfactory.” This criterion cannot be used for this determination. The vessels one and three are used for the calculation. The relative standard deviation is 10.19 % and the difference between vessel 1 and 3 is 18.5 %. Under consideration of the analytical technique, this deviation of the result can be regarded as satisfactory.