Acid Catalysed Reaction Products of 3,7-dimethyl-2,6-octadienal in the presence of ethanol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

November 15, 2016 - April 6, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

modified according to Letinski et al. (2002) and OECD 123 (2006)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Batch No.: SC00016331
Aspect: Yellow to brownish yellow liquid

Water solubility:

32.4 mg/L

Loading of aqueous phase:

100 mg/L

Temp.:

20 °C

pH:

5.2

Water solubility:

121 mg/L

Loading of aqueous phase:

1 000 mg/L

Temp.:

20 °C

pH:

5.2

Conclusions:

The test item CITRATHAL CONCENTRATE S TW, determined based on 16 signals divided into three analyte groups (monoterpene hydrocarbons, oxygenated hydrocarbons and unknowns), in saturated aqueous phases was determined at 20 °C and pH 5.2 to be 32.4 mg/L for an application dose of 100 mg/L as well as 121 mg/L for an application dose of 1000 mg/L, respectively.

Executive summary:

The water solubility of Citrathal Concentrate S TW was determined according to OECD Guideline No. 105 (1995) and Council Regulation (EC) No. 260/2014, Method A.6, modified according to Letinski et al. (2002) and OECD 123 (2006), from 2016 -11 -11 to 2016 -11 -21 at Noack Laboratorien, 31157 Sarstedt, Germany.

The solubility of the test item in double distilled water was determined employing the flask method for single replicates at two different application doses with slow stirring approach at 20 ± 0.5 °C with incubation at test temperature for at least 72 h.

The analytical method (GC-MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The test item was quantified based on 16 signals divided into three analytical groups.

The test item content of Citrathal Concentrate S TW, determined as the sum of the main components, in saturated aqueous phases was determined at 20 °C and pH 5.2 to be:

32.4 mg/L (application of 100 mg/L) and 121 mg/L (application of 1000 mg/L).

Description of key information

The water solubility of CITRATHAL CONCENTRATE S TW was determined according to OECD guideline 105 at two different application doses. Quantification of the test item was based on 16 signals divided into three analyte groups (monoterpene hydrocarbons, oxygenated hydrocarbons and unknowns).

Summarized Results:

Components	Concentration mg/L (at application dose of 100mg/L)	Concentration mg/L (at application dose of 1000mg/L)
Monoterpene Hydrocarbons	14.5	36.3
Oxygenated	17.7	84.0
Unknown	0.140	0.326
Sum	32.4	121

Key value for chemical safety assessment

Water solubility:

32.4 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the whole substance was determined as the sum of the main components in the saturated aqueous phase and found to be 32.4 mg/L (application of 100 mg/L) and 121 mg/L (application of 1000 mg/L).