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Physical & Chemical properties

Water solubility

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water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011-09-19 to 2011-10-31
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study
according to guideline
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Specific details on test material used for the study:
- Names of test material (as cited in study report): Lemonile; 3,7-dimethyl-2,6-nonadienenitrile
- Substance type: Colourless liquid
- Physical state: Liquid
- Analytical purity: 99.4 % (sum of components)
- Lot No: VE00101509
- Expiration date of the lot/batch: 2012-09-09
Water solubility:
42 mg/L
20 °C
Remarks on result:
other: Ultrapure water
Details on results:
The results show that the solubility in ultrapure water is 42 mg/L; in ISO-medium it is 46 mg/L.

The pH values of the solutions in ultrapure water were all pH 7 (pH 8 in ISO-medium).

A summary of the results based on the raw data is given below:

Concentration (g/L)

Contact time (hr)

    Average (72/96 hr)
48 72 96
Water, average 43.6 38.9 42.3 42
ISO medium, average 46.8 41.0 49.0 46
The water solubility of the test substance was determined to be 42 mg/L in ultrapure water; in ISO-medium water it is 46 mg/L.

Description of key information

Solubility in pure water: 42 mg/L at 20 °C (OECD 105)
Solubility in reconstituted water: 46 mg/L at 20 °C

Key value for chemical safety assessment

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

Additional information