Dipotassium propanedioate

Melting point / freezing point

Administrative data

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

Cross-reference

Cross-reference 1

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.

Cross-reference 2

Reason / purpose for cross-reference:

reference to same study

Reference

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

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 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)

Dynamic viscosity of test material:

not specified

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

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 density^1 (g/mL)	0.560	0.567
Mean ± SD (g/mL)	0.564 ± 0.005
Tap density^1(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)

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).

Cross-reference 3

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 10^1
4	190.0	1.3383 x 10^1
Slope		-631.7560
Intercept		2.4779
R^2		0.9980
Extrapolated to 20^oC		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.

Cross-reference 4

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.

Cross-reference 5

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.

Cross-reference 6

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Test guideline 3

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

Test material

Test material information

Constituent 1

Reference substance name:

Dipotassium propanedioate

EC Number:

820-064-0

Cas Number:

13095-67-5

Molecular formula:

C3H2K2O4

IUPAC Name:

Dipotassium propanedioate

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

78.2 °C

Any other information on results incl. tables

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

Applicant's summary and conclusion

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.