Reaction mass of 1,1,2,2,3,3,3-heptafluoro-N-(heptafluoropropyl)-N-(pentafluoroethyl)propan-1-amine and 1,1,2,2,3,3,3-heptafluoro-N-(heptafluoropropyl)-N-(trifluoromethyl)propan-1-amine and 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)propan-1-amine

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Data waiving:

study technically not feasible

Justification for data waiving:

the study does not need to be conducted because the substance is highly insoluble in water

Cross-reference

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

September 15, 2017 to November 6, 2017

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

no

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

flask method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Lot 0002712253
- Expiration date of the lot/batch: 07/06/2020

Key result

Water solubility:

1.84 µg/L

Conc. based on:

other: for Component A and Component H (66.15% and 6.19% respectively).

Incubation duration:

>= 14 - <= 24 d

Temp.:

23.6 °C

Remarks on result:

other: pH not measured.

Key result

Water solubility:

0.042 µg/L

Conc. based on:

other: Component B (9.98%).

Incubation duration:

>= 14 - <= 24 d

Temp.:

23.6 °C

Remarks on result:

other: pH not measured

Key result

Water solubility:

0.679 µg/L

Conc. based on:

other: Component D (2.95%)

Incubation duration:

>= 14 - <= 24 d

Temp.:

23.6 °C

Remarks on result:

other: pH not measured

Key result

Water solubility:

< 0.005 µg/L

Conc. based on:

other: Component F (3.11%)

Incubation duration:

>= 14 - <= 24 wk

Temp.:

23.6 °C

Remarks on result:

other: pH not measured

Details on results:

MTDID 50908 is a multi-constituent substance. Water solubility was determined for the compounds identified as Component A and Component H, Component B, Component D, Component F (Fig 1).

Table 1. Summary of Measured Water Solubility of MTDID 50908 Components

Analytes	Time point ^(1)	average concentration (ng/mL) ^(2)	% RSD	N^(2)
Components A and H^(3)	2	1.81	20	9
	3	1.85	23	9
	4	1.85	17	9
Inter‐day Average		1.84	19
Components B	2	0.0406	20	9
	3	0.0419	18	9
	4	0.0429	13	9
Inter‐day Average		0.0419	17
Components D	2	0.675	22	9
	3	0.672	27	9
	4	0.690	21	9
Inter‐day Average		0.679	22
Components F	2	< 0.00516	N/A	9
	3	< 0.00516	N/A	9
	4	< 0.00516	N/A	9
Inter‐day Average		< 0.00516	N/A

(1)    Incubation times are: Time Point 2 = 14 days, Time Point 3 = 18 days, Time Point 4 = 24 days.

Results for Time Point 1 are not presented in report as it appeared the test substance had not reached saturation.

(2)    Average value of triplicate vials, and triplicate aliquot of each vial.

(3)    Component A and Component H are isomers and were not chromatographically resolved.

Their concentrations were combined and results are reported together.

 

Conclusions:

MTDID 50908 is a multi-constituent substance. Water solubility was determined for components identified as A, B, D, F and H. The average measured water solubility of Component A and H is 1.84 ng/mL (RSD=19%), the average water solubility of Component B is 0.0418 ng/mL (RSD=17%), the average water solubility of Component D is 0.679 ng/mL (RSD=22%), and the average water solubility of Component F is <0.00516 ng/mL (RSD=not applicable) at 23.6°C.

Executive summary:

The water solubility of MTDID 50908 was determined using OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”.

Triplicate test vials were prepared by injecting 100 μl of MTDID 50908 into the test vials pre-filled with Milli-Q reagent water to zero-headspace. The vials were incubated horizontally at approximately 30°C with a shaker setting of 100 revolutions per minute (RPM) for 4 time points (11, 14, 18, and 24 incubation days). Results for Time Point 1 (11 incubation days) were not reported as it appeared the test substance had not reached saturation. At the end of each time point, the vials were placed at room temperature for at least 24 hours to equilibrate to ambient temperature ranged from 23.2 - 23.8°C. Samples were then centrifuged at 1000 rpm for approximately 30 minutes. A single 20-mL aliquot samples were removed from each vial. Four replicates of 5-mL aliquots were dispensed into four separate analysis vials containing 5 mL of Milli Q water. Three aliquots of the sample were prepared for triplicate analysis of each test vessel. A fourth aliquot was prepared in a similar fashion and then spiked with a known amount of MTDID 50908 gas standard for analysis as a laboratory matrix spike. All samples were analyzed using purge and trap gas chromatography/mass spectrometry (GC/MS).

MTDID 50908 is a multi-constituent substance.Water solubility was determined for the compounds identified as Component A and Component H (Component A and Component H are isomers and were not chromatographically resolved), Component B, Component D, and Component F. The average measured water solubility of Component A and H is 1.84 ng/mL (RSD = 19%), the average water solubility of Component B is 0.0418 ng/mL (RSD = 17%), the average water solubility of Component D is 0.679 ng/mL (RSD = 22%), and the average water solubility of Component F is <0.00516 ng/mL (RSD = not applicable) at 23.6°C.

This is a guideline study conducted under ISO17025.  Water solubilities are reported for the primary components listed in the composition.  Other materials present below 1% are more water soluble, such that water solubility of the primary components does not reflect total amount of material  in water solution. Therefore, it is considered reliable with restriction and a key study.