Isopropylamine

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: 29 June 2009 Study completion date: 19 October 2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted on 27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Directive 92/69/EEC, Official Journal L 383 A 1992

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

>= 50 other: % [m/m]

Conc. based on:

test mat.

Loading of aqueous phase:

1 000 g/L

Incubation duration:

69 h

Temp.:

20 °C

pH:

14.4

Remarks on result:

other:

Remarks:

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 at least 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	Analysed carbon concentration^1)	Concentration of the test item	pH value^3)
		[ml]	[% C w/w]	[% w/w]^2)
1	5.009	5	26.3	43.1	14.38
2	5.016	5	26.9	44.1	14.44

1) Due to the high volatility of the test item (boinling boint 32 °C) parts of the test item disappeared during the handling. Thus the analysed carbon concentration is somewhat below the expected value.

2) calculated from the carbon concentration of the sample solutions and the molecular formula of the test item (61.0 %). A carbon content of the pure test item could not be determined due to the high volatility of the test item.

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

Conclusions:

Water solubility (OECD 105; flask method): The test item is miscible at least in a 1 : 1 ratio mixture (w/w) with water (at 20°C; pH 14.4).

Executive summary:

The water solubility of the test item was determined in a GLP compliant study 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 in a 1 : 1 ratio mixture (w/w) with water (at 20°C). Based on densities, this corresponds to a waster solubility of >= 407 g/L at 20 °C and pH 14.4.

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

Specific details on test material used for the study:

Purity: according to the publication, most amines were of purities >= 98% or better, only few had purities ranging down to 95 mass %, with water being the most common impurity.

Key result

Water solubility:

<= 687 g/L

Conc. based on:

test mat.

Remarks:

As a limit value for water solubility, the density of isopropylamine at 20°C is given

Temp.:

20 °C

Remarks on result:

completely miscible

Details on results:

Mutual solubility determinations of water and isopropylamine confirmed miscibility with water in all proportions up to the boiling point of the amine (0 - 33°C).

Conclusions:

Interpretation of results: miscible in all proportions.

Executive summary:

In a reliable and scientifically valid study from the scientific literature, Stephenson (1993) determined mutual solubilities of water and aliphatic amines including isopropylamine at ambient pressure. They confirmed miscibility of isopropylamine with water in all proportions up to the boiling point of the amine (0 - 33°C).

Description of key information

Water solubility (OECD 105, flask method): >= 407 g/L at 20 °C and pH 14.4;

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

in water.

Key value for chemical safety assessment

Water solubility:

687 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 14.4). This corresponds to a water solubility of >= 407 g/L at pH 14.4 and 20 °C.

No higher ratios isopropylamin : water have been tested in this study. Based on a pKa of 10.8, at a pH of 14.4 the majority of molecules will be neutral. Thus, at environmentally relevant pH water solubility

will even be larger.

Miscibility in ratios isopropylamine : water higher than 1:1 is confirmed by results from the supporting study (Stephenson, 1993). Mutual binary solubilities were experimentally measured for aliphatic amines including isopropylamine. All amines up to C4 were found to be miscible with water in all proportions up to the boiling point of the amine (0 - 33°C for isopropylamine). Accordingly, as an upper boundary for water solubility the density of n-butylamine at 20 °C could be used, i.e. 687 g/L.