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Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Study initiation date: 24 June 2009 Study completion date: 12 October 2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
adopted on 27th July 1995
Deviations:
no
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes
Type of method:
flask method
Water solubility:
>= 50 other: % (w/w)
Temp.:
20 °C
pH:
13.8
Key result
Water solubility:
>= 424 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
5 other: g of test item added to 5 mL of water
Incubation duration:
69 h
Temp.:
20 °C
pH:
13.8
Remarks on result:
other: miscible at least up to a ratio of 1:1 (by weight)
Details on results:
The water solubility of the test item was determined according to OECD guideline no. 105 [adopted
on 27 July 1995] and EU test method A.6 [Directive 92/69/EEC, Official Journal L 383 A 1992] with
the modified flask method.
The test item is miscible in a 1 : 1 ratio mixture (w/w) with water (at 20°C).

The concentration of the test item in both 1:1 (weight) mixtures of test item and water were determined by carbon analysis, with the following results:

Sample
no.

Amount of
test item
[g]

Added volume of
water
[ml]

Analysed carbon
concentration
[% C w/w]

Concentration of
the test item
[% w/w]1)

pH value2)

1

5.012

5

32.4

50.3

13.79

2

5.007

5

32.3

50.2

13.79

1) calculated from the carbon concentration of the sample solutions and the carbon content of the pure test item (64.4 %)

2) The purified water used for the tests had a pH value of 6.46.

Conclusions:
The test item is miscible at least up to a ratio of 1 : 1 (w/w) with water (at 20°C and pH 13.8). This corresponds to a water solubility of >= 424 g/L.
Executive summary:

The water solubility of the test item was determined compliant with GLP according to OECD guideline no. 105 [adopted on 27 July 1995] and EU test method A.6 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the modified flask method. The test item is miscible at least up to a ratio of 1 : 1 (w/w) with water (at 20°C and pH 13.8). This corresponds to a water solubility of >= 424 g/L.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: detailed representation
GLP compliance:
no
Type of method:
flask method
Key result
Water solubility:
<= 736.9 g/L
Conc. based on:
test mat.
Remarks:
As a limit value for water solubility, the density of n-butylamine at 20°C is given
Temp.:
20 °C
Remarks on result:
completely miscible
Details on results:
Mutual solubility determinations of water and n-butylamine confirmed miscibility with water in all proportions up to the boiling point of the amine (0 - 78°C).
Conclusions:
Mutual binary solubilities were experimentally meassured for aliphatic amines including n-butylamine. All amines up to C4 were found to be miscible with water in all proportions up to the boiling point of the amine (0 - 78°C for n-butylamine).

Description of key information

Water solubility (OECD 105, flask method): >= 424 g/L at 20 °C and pH 13.8;

Miscibility with water in all proportions up to the boiling point of the amine was confirmed by Stephenson (1993). Therefore, as key value below the densitiy of n-butylamine is given as the upper limit for solubility in water.

Key value for chemical safety assessment

Water solubility:
736.9 g/L
at the temperature of:
20 °C

Additional information

The water solubility of the test item was determined according to OECD guideline no. 105 [adopted on 27 July 1995] and EU test method A.6 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the modified flask method. The test item is miscible at least up to a ratio of 1 : 1 (w/w) with water (at 20°C and pH 13.8). This corresponds to a water solubility of >= 424 g/L at pH 13.8 and 20 °C.

No higher ratios n-butylamin : water have been tested in this study. Based on a pKa of 10.8, at a pH of 13.8 the majority of molecules will be neutral. Thus, at environmentally relevant pH water solubility will even be larger.

Miscibility in ratios n-butylamine : water higher than 1:1 is confirmed by results from the supporting study (Stephenson, 1993). Mutual binary solubilities were experimentally meassured for aliphatic amines including n-butylamine. All amines up to C4 were found to be miscible with water in all proportions up to the boiling point of the amine (0 - 78°C for n-butylamine). Accordingly, as an upper boundary for water solubility the density of n-butylamine at 20 °C could be used, i.e. 736.9 g/L.