Dodecanenitrile

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Aug-Sep 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Recent study according to guidelines and GLP.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2007

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

Dodecanenitrile

EC Number:

219-440-1

EC Name:

Dodecanenitrile

Cas Number:

2437-25-4

Molecular formula:

C12H23N

IUPAC Name:

dodecanenitrile

Details on test material:

Certificate included in report:
Sigma-Aldrich
Product Name Dodecanenitrile, 99%
Product Number U1605
Product Brand Aldrich
CAS Number 2437-25-4
Molecular Formula CH3(CH2)10CN
Molecular Weight 181.32
TEST LOT S14287 RESULTS
QC Acceptance date 22-NOV-2002
APPEARANCE - Clarity CLEAR
APPMRANCE - Colour COLOURLESS
APPEARANCE -State LIQUlD
FT-IR SPECTROSCOPY - FTIR SPECTRUM: CONFORMS TO REFERENCE
FT-IR SPECTROSCOPY - REFERENCE 2(1), 1425C
REFRACTIVE INDEX 1.4363
GAS CHROMATOGRAPHY - PURITY 99.40%

Results and discussion

Water solubility

Water solubility:

0.93 mg/L

Temp.:

21 °C

pH:

6.14 - 7.63

Remarks on result:

other: +/- 0.25 mg/L

Details on results:

The water solubility of Dodecanenitrile at 21 °C was determined to be 0.93 mg/L ± 0.25 mg/L.

Any other information on results incl. tables

Results of the water solubility of Dodecanenitrile

Experiment No.	Flow rate (mL/h)	Sample No.	Concentration analyzed (µg/mL)	Water solubility calculated (mg/L)	pH
1	31	1	0,909	0,93 SD = ± 0,25	6,65
		2	1,230		6,31
		3	1,456		6,16
		4	1,126		6,55
		5	1,044		6,61
		6	0,925		6,47
2	16	7	0,780		7,63
		8	0,977		6,14
		9	0,752		6,36
		10	0,585		6,19
		11	0,663		6,74
		12	0,714		6,34

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of Dodecanenitrile at 21 °C was determined to be 0.93 mg/L ± 0.25 mg/L.

Executive summary:

The determination of the water solubility of Dodecanenitrile was performed according to the EEC Directive 92/69, A6 "Water Solubility" (1992) and the OECD guideline No105, "Water Solubility" (adopted July 27, 1995), using the column elution method.

 

During the preliminary test the water solubility of Dodecanenitrile at room temperature was estimated by a simplified flask method to be lower than the smallest calibration point of 0.8373 µg/mLTherefore, the column elution method was used for the performance of the main test.

 

During the main test six samples have been analyzed in the first run (0.52 mL/min) and six samples during the second run (0.26 mL/min), each with a sampling interval of one hourTotal elution time was 192 hoursThe sample measurement was performed by GC.

The measured results differ by less than 30%Therefore, the study is considered to be valid.

 

Concurrent with the sample analysis, recoveries of spiked water samples (25.4 µg/ml and 5.08 µg/ml) were tested. The recoveries of the spiked samples were 95% and 892% respectively. These results show the suitability of the work-up procedure used for the aqueous test sample solutions.

 

The r² fit for the calibration curve was 0.9997 (optimum 1.0000)This reflects the linearity of the GC-system within the calibration range of 0.3999 µg/mL to 7.9975 µg/mL of the test item.

 

In conclusion, the water solubility of Dodecanenitrile at 21 °C was determined to be 0.93 mg/L (± 0.25 mg/L) using the column elution method.

 

The water solubility was not corrected for the purity of the test item (99.4%).