N,N,N',N',N'',N''-hexamethyl-4,4',4''-methylidynetrianiline

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

Preparation of the quality control samples were not prepared at concentrations below the measured water solubility.

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

yes

Remarks:

Preparation of the quality control samples were not prepared at concentrations below the measured water solubility.

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

N,N,N',N',N'',N''-hexamethyl-4,4',4''-methylidynetrianiline

EC Number:

210-043-9

EC Name:

N,N,N',N',N'',N''-hexamethyl-4,4',4''-methylidynetrianiline

Cas Number:

603-48-5

Molecular formula:

C25H31N3

IUPAC Name:

4-{bis[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline

Test material form:

solid: particulate/powder

Details on test material:

- Purity: 99.4%

Results and discussion

Water solubility

Key result

Water solubility:

1.3 mg/L

Conc. based on:

test mat.

Incubation duration:

> 24 - < 72 h

Temp.:

20 °C

pH:

>= 7.423 - <= 8.714

Details on results:

Preliminary Test: The preliminary test yielded an approximate solubility of <0.0992 mg/mL in water. Definitive Test: The solubility of the test substance was determined from the 48 and 72 hour timepoints to be 1.30 μg/mL (0.00130 g/L) with a CV of 19%. Samples were not in equilibrium at the 24 hour timepoint which was slightly higher in concentration than the 48 and 72 hour timepoints. Although variability was observed, the samples were in equilibrium as values did not significantly increase over time. The temperature for the chamber during the testing was within 20 ± 1°C. The pH for the 24, 48, and 72-hour test samples was measured as 7.932, 7.423, and 8.714, respectively. The quality control samples yielded recoveries that ranged from 80.7 to 94.1% of the nominal concentration of test substance and verified the analyses. A protocol deviation occurred during the preparation of the quality control samples in that they were not prepared at concentrations below the measured water solubility. Quality control samples were prepared below the estimated water solubility of the test material because the actual water solubility was unknown at the point the QC samples were prepared due to concurrent analysis with test samples. No effect on the study is anticipated because the low water solubility of the test material meant that the QCs were prepared using a spiking solvent. The test substance was soluble at the prepared levels in the presence of the spiking solvent as evidenced by an average recovery of 89.8%. Additionally, the limit of quantitation was determined to be 0.326 μg/mL after the test to ensure the definitive samples could be quantitated accurately at the level of solubility.

Applicant's summary and conclusion

Conclusions:

The solubility in water of the test substance was 1.3 mg/L at 20°C.

Executive summary:

The solubility of the test substance in water was determined by producing a saturated solution over time using the shake flask method and analysing the solution for the test substance using a high performance liquid chromatography system with diode array detection (HPLC-DAD) in accordance with OECD Guideline 105.

 

The solubility in water of the test substance was 1.3 mg/L at 20°C.