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Administrative data

Endpoint:
tap density
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02-19.01.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-referenceopen allclose all
Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02-19.01.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
GLP compliance:
yes
Type of method:
other: capilary tube in melting point apparatus
Key result
Melting / freezing pt.:
78.2 °C

MELTING POINT RESULTS

Replicate #

Melting Ranges Observed (°C)

Melting Point Observed (°C)

Initial

Final

Individual

Mean ± SD

1

77.6

78.1

78.1

78.2 ± 0.1

2

77.8

78.3

78.3

Conclusions:
The melting point was determined to be 78.2°C.
Executive summary:

The melting point of the test substance was measured by the capillary technique using the Stuart SMP 20 Melting Point Apparatus based on the procedures described in OPPTS 830.7200, OECD TG 102, and EEC method A1. The temperature (°C) at which the test substance was observed to melt was recorded as the melting point. This procedure was repeated with the test substance to obtain two measurements.

The melting point was determined to be 78.2°C.

Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02-19.01.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
GLP compliance:
yes
Type of method:
other: capillary method
Key result
Boiling pt.:
170.3 °C
Remarks on result:
other: test run at ambient atmospheric pressure; exact value not reported

BOILING POINT RESULTS

Replicate #

Boiling Ranges Observed (°C)

Boiling Point

Observed (°C)

Initial

Final

Individual

Mean ± SD

1

170.1

170.3

170.3

170.3 ± 0.1

2

170.0

170.2

170.2

 

Conclusions:
The boiling point was determined to be 170.3 ± 0.1°C.
Executive summary:

The boiling point of the test substance was measured by using the Stuart SMP20 Melting Point Apparatus based on the procedures described in OPPTS 830.7220, OECD TG 103, and EC method A2. The boiling point was determined to be 170.3 ± 0.1°C.

Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
flammable solids
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02.-19.01.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
EU Method A.10 (Flammability (Solids))
Qualifier:
according to guideline
Guideline:
other: 16 CFR 1500.44; methods for determining extremely flammable and flammable solids
GLP compliance:
yes (incl. QA statement)
Key result
Test procedure:
other: burning rate test over 200 mm length
Burning time:
2 min
Moisture (wt %):
0
Remarks on result:
substance does not ignite and propagate combustion either by burning with flame or smouldering along 200 mm of the powder train within the 2 minutes test period
Interpretation of results:
not classified based on GHS criteria
Conclusions:
It can be concluded that the test substance is not highly flammable.
Executive summary:

The flammability of the test substance was characterized based on Commission Directive 92/69/EEC, Section A.10 Flammability (Solids) and 16 CFR 1500.44 methods for determining extremely flammable and flammable solids. The test substance was formed into an unbroken strip or powder train about 250 mm long x 20 mm wide x 10 mm high on a non-combustible, non-porous and low heat-conducting base plate. At one end of the train, a distance of 0 and 200 mm was marked using a ruler. A hot flame from a gas burner (minimum diameter 5 mm) was applied to the end (marked 0) of the train until the powder ignited or for a maximum of 2 minutes. Since the test substance did not combust after 2 minutes, the test substance was observed for an additional 2 minutes. As the test substance did not propagate combustion to the 200 mm mark during the 4-minute test period, the test substance was not considered highly flammable and no additional testing was required.

It can be concluded that the test substance is not highly flammable.

Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
02.-19.01.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7950 (Vapor Pressure)
GLP compliance:
yes
Type of method:
effusion method: Knudsen cell
Key result
Test no.:
#1
Temp.:
20 °C
Vapour pressure:
2.103 Pa

VAPOR PRESSURE RESULTS

ID

Temperature (oC)

Vapor Pressure (Pa)

1

28.5

2.3091

2

32.1

2.6782

3

210.0

1.4388 x 101

4

190.0

1.3383 x 101

Slope

-631.7560

Intercept

2.4779 

R2

0.9980 

Extrapolated to 20oC

2.1032 

Conclusions:
The vapor pressure extrapolated to 20° C was determined to be 2.1032 Pa.
Executive summary:

The vapor pressure of the test substance by Knudsen effusion method was measured using a Surface Measurement Systems VPA1, Vapor Pressure Analyzer based on the methodology referenced in OPPTS 830.7950 and OECD TG 104. The Knudsen effusion method is a dynamic gravimetric technique based on the rate of escape of vapor molecules through an orifice of known dimension in a Knudsen cell into a vacuum at a known temperature. The rate of mass loss through the orifice per unit of time was measured and used to calculate the vapor pressure. Calculations were performed using VPA Analysis: DVS Std v 7.1.0 (includes VPA analysis Software v0.6).

Prior to use, the cells were cleansed with deionized water and sonicated for ~10 minutes, then rinsed with acetone and dried in oven. Samples were then placed in the sample cell. The cell was placed into the chamber and the door was closed. The initial mass was set and the power and vacuum were turned on. The vapor pressure of the test substance was measured at four distinct temperatures between 28.5-210.0°C. The logarithm of vapor pressure vs. inverse temperature in Kelvin for this set of data was plotted. The slope, intercept, and R2 values were then calculated for this plot and the curve was extrapolated to 20ºC.

The vapor pressure extrapolated to 20° C was determined to be 2.1032 Pa.

Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Qualifier:
according to guideline
Guideline:
other: CIPAC MT 181
GLP compliance:
yes
Type of method:
flask method
Water solubility:
1 670 g/L
Conc. based on:
test mat.
Temp.:
20 °C
Remarks on result:
other: pH not determined.

Solvent Replicate Sample weight
(g)
Solvent added
(mL)
Visual observation Approximate solubility
(g/L)
Mean +/- SD
(g/L)
Water 1 0.5013 0.3 CD 1671 1670 +/- 2
2 0.5004 0.3 CD 1668
Conclusions:
The water solubility was determined to be 1670 g/L.
Executive summary:

The water solubility was determined in accordance with OECD guideline 105. Duplicate test substance samples were prepared by weighing approximately 0.5g into 10 mL graduated cylinders and adding 0.1 mL of distilled water. The mixture was shaken vigorously and then stored at the test temperature (20°C) with intermittent shaking for at least 30 minutes. Increasing volumes of distilled water were added until complete dissolution was achieved. Determination of concentration was performed only by means of visual inspection.

Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
other: OECD 105; OPPTS 830.7840; CIPAC MT 181; EU Method A.6
Principles of method if other than guideline:
Due to technical constraints, the partition coefficient could not be determined in accordance with OPPTS 830.7550 or OPPTS 830.7570. As a consequence, the partition coefficient was calculated based on experimental data obtained from the solubility of the test material in water and n-octanol.
The solubility was determined separately in the two solvents by visual assessment, and a log Kow was calculated from the resulting solubilities.
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
-4.52
Temp.:
20 °C
Remarks on result:
other: pH not determined.

Solvent Replicate Sample weight
(g)
Solvent added
(mL)
Visual observation Approximate solubility
(g/L)
Mean +/- SD
(g/L)
Water 1 0.5013 0.3 CD 1671 1670 +/- 2
2 0.5004 0..3 CD 1668
n-Octanol 1 0.0112 210 CD 0.05 0.05 +/- 0.00
2 0.0111 210 CD 0.05

CD: completely dissolved

Conclusions:
The log Kow was estimated to be -4.52.
Executive summary:

The log Kow of the test item is < -2, which is outside of the range determinable by OECD 107. As a consequence, the partition coefficient was calculated based on experimental data obtained from the solubility of the test material in water and n-octanol.

The solubility was determined separately in the two solvents by visual assessment, and a log Kow was calculated from the resulting solubilities.

The water solubility of the test item was determined to be 1670 g/L.

The n-octanol solubility of the test item was determined to be 0.05 g/L.

Based on these solubilities, the log Kow was estimated to be -4.52.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 109 (Density of Liquids and Solids)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7300 (Density / Relative Density / Bulk Density)
Qualifier:
according to guideline
Guideline:
other: CIPAC MT-159
GLP compliance:
yes
Type of method:
pour and tap (for solids)

Test material

Constituent 1
Chemical structure
Reference substance name:
Dipotassium propanedioate
EC Number:
820-064-0
Cas Number:
13095-67-5
Molecular formula:
C3H2K2O4
IUPAC Name:
Dipotassium propanedioate
Dynamic viscosity of test material:
not specified

Results and discussion

Densityopen allclose all
Type:
pour density
Density:
0.564 other: g/mL
Remarks on result:
other: test run at ambient temperature; exact temperature not reported
Type:
tap density
Density:
0.695 other: g/mL
Remarks on result:
other: test run at ambient temperature; exact temperature not reported

Any other information on results incl. tables

MEASUREMENTS OF BULK DENSITY OF SOLIDS

Test Sample 1

Test Sample 2

Sample weight (g)

25.2

25.5

Pour Volume (V1, mL)

45

45

Volume (V2, mL) after tap

37

36

Pour density1 (g/mL)

0.560

0.567

Mean ± SD (g/mL)

0.564 ± 0.005

Tap density1 (g/mL)

0.681

0.708

Mean ± SD (g/mL)

0.695 ± 0.019

1 Density in g/mL= Weight of sample divided by Volume (V1or V2)

Applicant's summary and conclusion

Conclusions:
The density was determined to be 0.564 ± 0.005 g/mL (pour density) and 0.695 ± 0.019 g/mL (tap density).
Executive summary:

The pour and tap density of the test substance was determined in accordance with OPPTS 830.7300, CIPAC MT-159, and OECD TG 109.

An appropriate amount of the test substance was weighed in order to fill 90% of a 50 mL glass cylinder. The test substance was poured into the cylinder, leveled off and the initial volume measured to the nearest 1 mL. The upper part of the cylinder was then raised 25 mm and allowed to drop until a total of 100 taps were made and a second volume was measured and recorded.

The pour density of the test substance is its weight divided by the initial volume, expressed in g/mL. The tap density of the test substance is obtained by dividing the weight of the test substance by the second volume (g/mL).

The density was determined to be 0.564 ± 0.005 g/mL (pour density) and 0.695 ± 0.019 g/mL (tap density).