Registration Dossier

Administrative data

Endpoint:
surface tension
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because water solubility is below 1 mg/L at 20°C
Cross-reference
Reason / purpose:
data waiving: supporting information
Reference
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
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
GLP compliance:
yes
Type of method:
flask method
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%
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%).

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).

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.

Data source

Materials and methods

Results and discussion

Applicant's summary and conclusion