Isotridecyl isononanoate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Start date: 10/01/2018, End date: 09/01/2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

Isotridecyl isononanoate

EC Number:

255-673-5

EC Name:

Isotridecyl isononanoate

Cas Number:

42131-27-1

Molecular formula:

C22H44O2

IUPAC Name:

Isotridecyl isononanoate

Specific details on test material used for the study:

Name: Isotridecyl isononanoate
Lot: 0001067681
Purity: 100%
Test substance number: 1014074
Preparation: Sample prepared in Acetone and dried onto sand. Samples prepared and analysed within 24 hours

Results and discussion

Water solubility

Key result

Water solubility:

< 0.01 mg/L

Conc. based on:

test mat.

Remarks on result:

other: pH and Temperature not applicable given the study was performed via column elution method.

Remarks:

pH and Temperature not applicable given the study was performed via column elution method.

Details on results:

TEST ANALYSIS PARAMETERS:
GC-MS was used to determine concentrations of the test substance using the following conditions:
The following conditions were found to be suitable for the analysis of Isotridecyl isononanoate
Injection volume 2 μL from a 10 μL Syringe
Column Thermo 835608
Column temperature program:
- Initial temperature : 75 °C for 1 min
- Temperature Ramp: 35°C a min
- Final Temperature: 300 °C
- Hold time (mins): 2

Mass Spectrometer:
The operating conditions are shown here for Isotridecyl isononanoate
Transfer line Temperature: 300°C
Scan Type: SIM +ve ion
MS Source Temperature: 230°C
MS Quad Temperature: 150°C

Group 1 D10-Phenanthrene
- Time: 5.523 Minutes
- Plot Ion: 188.0 m/z
- Dwell: 150

Group 2 Isotridecyl isononanoate
- Time: 5.155 Minutes
- Plot Ion: 57.00, 159.00 m/z
- Dwell: 100, 100

Any other information on results incl. tables

Below is a summary of the details of the final 5 samples taken at each flow rate. These samples did not differ from each other by more than 30% or there were 5 consecutive samples below the limit of quantification so no further fractions were collected.

Date/Time	Temp (C	Column A			Column B
		Flow Rate (mL/min)	Time(min)	Calculated Conc (mg/L)	Flow Rate (mL/min)	Time(min)	Calculated Conc (mg/L)
10/01/18	20±0.5°C	1	40	<0.01 mg/L	2	40	<0.01 mg/L
10/01/18	20±0.5°C	1	No Sample at time point			60	<0.01 mg/L
10/01/18	20±0.5°C	1	80	<0.01 mg/L	2	80	<0.01 mg/L
10/01/18	20±0.5°C	1	No Sample at time point			100	<0.01 mg/L
10/01/18	20±0.5°C	1	120	<0.01 mg/L	2	120	<0.01 mg/L
10/01/18	20±0.5°C	1	No Sample at time point
10/01/18	20±0.5°C	1	160	<0.01 mg/L
10/01/18	20±0.5°C	1	No Sample at time point
10/01/18	20±0.5°C	1	200	<0.01 mg/L

Note:

1) The limit of quantification for this method was 0.01mg/L

Sample	Flow rate (mL/min)	Support Mateial sample concentration (g/L)	Solubility (mg/L)
A	1	1	<0.01
B	2	1	<0.01

The concentration of the sample was shown to be below the limit of quantification at both flow rates.

Applicant's summary and conclusion

Conclusions:

The study has shown that the water solubility of the substance is <0.01 mg/L.