1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

October 21, 2016 to November 9, 2016

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

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane

EC Number:

216-703-2

EC Name:

1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane

Cas Number:

1644-11-7

Molecular formula:

C8F16O2

IUPAC Name:

1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)propane

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Naqme of the test substance: MTDID 15856
- Source and lot/batch No.of test material: 116B2018
- Purity: 96.7%

Results and discussion

Water solubility

Key result

Water solubility:

2.78 µg/L

Conc. based on:

test mat.

Incubation duration:

>= 5 - <= 10 d

Temp.:

25.7 °C

Remarks on result:

other: pH not measured

Remarks:

Unit reported as ng/mL.

Details on results:

Average measured PPVE-2 water solubility in individual test vials ranged from 2.55 ng/mL to 3.46 ng/mL (n =3). The intra-day average solubility concentration ranged from 2.68 ng/mL to 2.96 ng/mL (n= 9). The overall average (N=36) was 2.78 ng/mL (RSD = 11%).

Any other information on results incl. tables

Table 1. Summary of PPVE-2 water solubility results (ng/mL) ⁽¹⁾

Sample	Time point 1 (Five days)	Time point 2 (Six days)	Time point 3 (Seven days)	Time point 4 (Ten days)
Vial 1 Avg^(2)	2.55 (17%)	2.59 (9.4%)	2.62 (2.7%)	3.46 (7.8%)
Vial 2 Avg ^(2)	3.00 (2.9%)	2.83 (10%)	2.72 (5.0%)	2.81 (3.5%)
Vial 3 Avg ^(2)	2.79 (3.8%)	2.70 (4.2%)	2.70 (4.4%)	2.59 (4.1%)
Intra-day Average	2.79	2.71	2.68	2.96
Intra-day %RSD	11	8.2	4.0	14
N	9	9	9	9
Inter-day Average	2.78
Inter-day %RSD	11 (n = 36)

(1)    PPVE-2 Solubility Concentration (ng/mL) using EXTERNAL Standard Quantitation. Results are considered accurate to within the calculated analytical method uncertainty for PPVE-2 of 100±37%.

2)    Average of triplicate aliquots, number in parentheses are % RSD of the triplicate aliquots (Intra-vial precision).

Applicant's summary and conclusion

Conclusions:

Under conditions of this study, the average measured water solubility of PPVE-2 is 2.78 ng/mL (RSD=11%) at 25.7°C.

Executive summary:

The water solubility of PPVE-2 was determined according to OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”.

Triplicate test vials were prepared by injecting 100 μl of PPVE-2 into the test vials pre-filled with Milli-Q reagent water to zero-headspace. The vials were incubated at approximately 30°C with shaking at 100 rpm for total of 4 time points (5, 6, 7, and 10 days). At the end of each time point, the vials were centrifuged at a setting of 1000 rpm for at least 15 minutes, then allowed to equilibrate for at least 24 hour at 24.9 – 26.3 °C. Triplicate aliquot of 5 mL of the aqueous solution were removed from the test vial and transferred to a separate vial containing 5 mL of MilliQ water, and analyzed using purge and trap gas chromatography/mass spectrometry (GC/MS). The intra-day average solubility concentration ranged from 2.68 – 2.96 ng/mL (N = 9). The overall average (N=36) was 2.78 ng/mL (RSD = 11%).

This is a guideline study conducted under GLP. Therefore, it is considered reliable without restriction and a key study.