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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-03-08 to 2010-03-15
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes
Type of method:
flask method
Specific details on test material used for the study:
- Name of test material (as cited in study report): n-Nonanal; nonyl aldehyde; Pelargonaldehyde
- Substance type: Colourless liquid with a fruity odour
- Physical state: Liquid
- Composition of test material, percentage of components: No data
- Isomers composition: No data
- Purity test date: 2009-11-03
- Batch No: 20091103145756
- Expiration date of the lot/batch: No data
- Stability under test conditions: > 6 months (at room temperature) after receipt at AQura 2009-11-26
- Storage condition of test material: cool; at room temperature; between 0 and 49 °C; dry, handle under N₂
Water solubility:
101 mg/L
Temp.:
20 °C
Remarks on result:
other: Calculated on basis of mean of 120 hr and 168 hr results.
Details on results:
For results tables please see attached supporting information.

Preliminary Test

Pre-sample

Mass of test item (g)

Volume of water (mL)

Visual observation

Approx. conc. of test item (g/L water)

1

0.5065

0.5

not dissolved

[1013]

2

0.5065

1

not dissolved

[507]

3

0.5065

2

not dissolved

[253]

4

0.5065

10

not dissolved

[51]

5

0.5039

100

not dissolved

[5]

6

0.5039

250

not dissolved

2

7

0.5039

500

not dissolved

1

8

0.56

1000

not dissolved

0.6

9

0.07

1000

not dissolved

0.07

10

0.04

1000

dissolved

0.04

11

0.008

1000

dissolved

0.008

NB: Concentration values in brackets are theoretical.

Main Test

Data from both Main test 1 (samples 1-6) and Main Test 2 (samples 7-12) are presented below:

Sample

Mass of test item (mg)

Volume of water (mL)

Shaking time (hr)

Analysed carbon content (mg C/L)

Concentration of test item (mg/L)

Mean value for time (mg/L)

pH value

1

44

100

24

71

94

91

4.5

2

47

100

24

67

88

4.5

3

44

100

48

69

91

93

4.5

4

46

100

48

72

95

4.5

5

41

100

72

80

105

98

4.4

6

44

100

72

69

91

4.5

7

51

100

72

69

91

94

4.4

8

52

100

72

73

96

4.4

9

52

100

120

79

104

100

4.1

10

53

100

120

73

96

4.3

11

52

100

168

77

101

101

4.3

12

52

100

168

77

101

4.4

The value for sample 5 is not an outlier (Dixon test).

Samples 1-6 mean value of 94 mg/L; std. dev. 6 mg/L; rel. std. dev. 6 %.

Samples 9 -12 mean value of 101 mg/L; std. dev. 0.7 mg/L; rel. std. dev 0.7 %.

The first 3 duplicate sets of samples (1-6) showed a slight tendency of increasing concentration values. The second 3 duplicate sets of samples (9-12) also showed a slight tendency of increasing concentration values.

In the case of the last 2 duplicate sets (after 120 hr and 168 hr) there is only a minimal difference of 1 mg/l ≈ 1 % in relation to the final result. In this case it is considered that the plateau for the water solubility is reached. Therefore, the final result is calculated with the mean values derived from the 120 hr and the 168 hr samples. The mean value after 72 hr was not taken into account for the final calculation. From further testing with again prolonged test periods no further information could be expected.

Conclusions:
The author found that the solubility of the test material was 101 mg/L.

Description of key information

Water solubility 101 mg/L at 20 °C (OECD 105)

Key value for chemical safety assessment

Water solubility:
101 mg/L
at the temperature of:
20 °C

Additional information