Butylamine

Water solubility

Link to relevant study record(s)

Reference

Reference 1

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 value^2)
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.

Reference 2

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.