(Z)-N-[2-(2-hydroxyethoxy)ethyl]-9-octadecenamide

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

From March 10, 2017 to March 15, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

- Surface tension: The surface tension of the test substance was determined by OECD Test No. 115. It was concluded: The surface tension of a test solution at 90% of the test substance saturation solubility in water and at 20°C was 32.9 nM/m. According to this, the test substance is considered to be surface active.
- Water solubility: The WATERNT estimation of the water solubility of the constituents of the test material resulted in a weighted average water solubility of 5.46 mg/L.

Key result

Conc. based on:

test mat.

Remarks on result:

not determinable

Details on results:

Preliminary Results
The test substance did not entirely dissolve at the concentration of 1 g/L.
Both surfactant properties (foaming) and insolubility (residual particulates) were observed. The preliminary test indicated the test substance was a mixture of insoluble component(s) and surfactant(s).

Definitive Test Results
The definitive test was initiated to confirm the observations from the preliminary test under controlled conditions. The flasks were taken off on Day 3 and observed.

Observations:
- The control flask was clear water.
- The three test substance flasks had a purplish oil floating on top, particulates (floaters) dispersed throughout the solution, and a general cloudiness.
- A one mL aliquot of one of the test substance flasks was diluted in 100 mL of water, particulates, and cloudiness were still observed.
- The contents of one test substance flask were vigorously shaken and foaming of the solution (surfactant characteristics) was observed.
The Definitive OECD 105 test could not be completed due to the surfactant characteristics of the test substance.

Conclusions:

Under the study conditions, direct measurement of the water solubility could not be determined due the surfactant properties of the test substance.

Executive summary:

A study was conducted to determine the solubility of the test substance according to OECD Guideline 105 in compliance with GLP. Under the study conditions, direct measurement of the water solubility could not be determined due the surfactant properties of the test substance (Ford, 2017).

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

- Surface tension: The surface tension of the test substance was determined by OECD Test No. 115. It was concluded: The surface tension of a test solution at 90% of the test substance saturation solubility in water and at 20°C was 32.9 nM/m. According to this, the test substance is considered to be surface active.
- Water solubility. The water solubility of the test substance was determined according to OECD Guideline 105. Direct measurement of the water solubility could not be determined due the surfactant properties of the test substance.

Qualifier:

according to guideline

Guideline:

other: QSAR

Version / remarks:

v1.42 WATERNT

Deviations:

no

GLP compliance:

no

Type of method:

other: QSAR Weighted average (WATERNT v1.42)

Key result

Water solubility:

5.46 mg/L

Conc. based on:

test mat.

Remarks on result:

other: range of 0.01 to 134.30 mg/L.

					WATERNT
Components	Mass fraction (mi)	Molecular weight (Mi, g/mol)	mi/Mi	Mole fraction Xi = (mi/Mi)/∑ (mi/Mi)	Water solubility	WS * xi
OCCOCCNC(CCCCCCC/C=C\CCCCCCCC)=O	0.6240	369.59	0.001688	0.627599	7.40E-01	0.464222
OCCOCCNC(CCCCCCC/C=C\C/C=C\CCCCC)=O	0.2730	367.58	0.000743	0.276076	1.63E+00	0.449286
OCCOCCNC(CCCCCCCCCCCCCCCCC)=O	0.0224	371.61	0.000060	0.022407	3.36E-01	0.007533
OCCOCCNC(CCCCCCC/C=C/C/C=C/CCCC)=O	0.0194	353.55	0.000055	0.020397	5.39E+00	0.109949
O=C(NCCOCCOC)CCCCCCC/C=C\CCCCCCCC	0.0186	383.62	0.000048	0.018023	1.73E-01	0.003113
O=C(NCCOCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCCCC/C=C\CCCCCCCC	0.0143	632.03	0.000023	0.008410	6.32E-07	0.000000
OCCOCCNC(CCCCCCC/C=C/CCCCCCCC)=O	0.0126	369.59	0.000034	0.012673	7.40E-01	0.009374
OCCOCCNC(CCCCCCCCCCCC)=O	0.0058	301.47	0.000019	0.007152	1.32E+02	0.944580
O=C(NCCOCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCCCC/C=C\C/C=C\CCCCC	0.0045	630.02	0.000007	0.002655	6.30E-07	0.000000
O=C(NCCOCCNC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCC/C=C\CCCCCCC	0.0036	619.04	0.000006	0.002162	6.19E-07	0.000000
CCCCCCCCCCC(NCCOCCO)=O	0.0018	273.42	0.000007	0.002447	1.42E+03	3.476171
∑	1		0.002690			5.46

Conclusions:

Under the study conditions, modelled average water solubility measurement is 5.46 mg/L.

Executive summary:

A study was conducted to determine the solubility of the test substance by QSAR modelling (WATERNT). Under the study conditions, modelled average water solubility measurement is 5.46 mg/L (US EPA, 2000).

Description of key information

The water solubility was determined according to OECD Guideline 105 and QSAR modelling (Ford, 2017).

Key value for chemical safety assessment

Water solubility:

5.46 mg/L

Additional information

- 5.46 mg/L (QSAR)

- Measurement not possible due to surfactant properties of the test substance (OECD 105)