Propanenitrile, 3-[[3-(isodecyloxy)propyl]amino]-

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study without deviations.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

3-({3-[(2-methylnonyl)oxy]propyl}amino)propanenitrile

EC Number:

919-218-0

Cas Number:

72162-47-1

Molecular formula:

C16H32N2O

IUPAC Name:

3-({3-[(2-methylnonyl)oxy]propyl}amino)propanenitrile

Results and discussion

Water solubility

Water solubility:

68 mg/L

Temp.:

20 °C

pH:

ca. 8

Any other information on results incl. tables

Three flasks containing approx. 20 g/l test substance in water were stirred for 5 h at 30 °C. Subsequently the flasks were stirred at 20 °C for 1 day, 2 days and 3 days respectively. After each day the content of one flask was filtered through a 0,45 μm membrane filter. The content of the test substance in the aqueous phase was determined by HPLC.

HPLC conditions:

Column : Ascentis Express C8, 150 mm x 4,6 mm ID, 2,7 μm

Eluent A : c = 0,005 mol/l ammonium acetate in water / methanol = 85 / 15 (v/v)

Eluent B : methanol / acetonitrile = 50 / 50 (v/v)

Gradient : 0 min 75 % B

5 min 100 % B

7 min 100 % B

8 min 75 % B

Flow rate : 1,5 ml/min

Temperature : 40 °C

Detector : Fluorescence, Ex = 270 nm, Em = 320 nm

Inj. Volume : 1 μl and 10 μl, respectively

Calibration:

Linear regression line in the range from 0,03 to 0,3 mg/l test substance.

Sample preparation:

Calibration solutions were dissolved in acetonitrile and diluted 1/100 with acetonitrile. The

water phases were diluted 1/100 with acetonitrile prior to derivatisation.

Derivatisation:

1 ml of each calibration solution was transferred each into a 100 ml measuring flask. After addition of 1 ml fluorenylmethyloxycarbonyl chloride solution (58,2 mg in 25 ml acetonitrile) and 1 ml borate buffer (3,2 g boric acid in 100 ml water, pH 8,5 with sodium hydroxide) the flasks were filled to the mark with acetonitrile/water (50/50, v/v). 1 μl, 2 μl,

5μl and 10 μl of each final solution were injected. 1 ml of the diluted aqueous phase was transferred into a 50 ml measuring flask.

Derivatisation was carried out accordingly. 10 μl of the final solution were injected.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Water solubility (20°C): 68 mg/l

Executive summary:

Water solubility (20°C): 68 mg/l