1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride (1:1)

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2 and 6 August 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2007

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Date of inspection: 30 August 2005 Date of Signature: 21 November 2005

Type of method:

other: differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

trimethyl[3-(octadecyloxy)propyl]azanium chloride

EC Number:

700-414-8

Cas Number:

23328-71-4

Molecular formula:

C24H52ClNO

IUPAC Name:

trimethyl[3-(octadecyloxy)propyl]azanium chloride

Constituent 2

Reference substance name:

1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride

IUPAC Name:

1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride

Details on test material:

- Name of test material (as cited in study report): 3-Octadecyloxypropyl-N,N,N-trimethylammonium chloride
- Molecular formula (if other than submission substance): Not applicable
- Molecular weight (if other than submission substance): Not applicable
- Smiles notation (if other than submission substance): Not applicable
- InChl (if other than submission substance): Not applicable
- Structural formula attached as image file (if other than submission substance): Not applicable
- Substance type: white solid
- Physical state: solid
- Analytical purity: Not reported
- Impurities (identity and concentrations): Not reported
- Composition of test material, percentage of components: Not reported
- Isomers composition: Not reported
- Purity test date: Not reported
- Lot/batch No.: Exp. I-070518
- Expiration date of the lot/batch: Not reported
- Radiochemical purity (if radiolabelling): Not applicable
- Specific activity (if radiolabelling): Not applicable
- Locations of the label (if radiolabelling): Not applicable
- Expiration date of radiochemical substance (if radiolabelling): Not applicable
- Stability under test conditions: Not reported.
- Storage condition of test material: room temperature in the dark.
- Other: Not reported.

Results and discussion

Melting / freezing point

Melting / freezing pt.:

502 K

Remarks on result:

other: Melt./Freez. pt. 502 ± 0.5 K

Any other information on results incl. tables

Thermographic data for Determinations 1 and 2 are shown in the following tables respectively:

Table 1 Thermographic Data - Determination 1

Thermal Event	Interpretation	Temperature
		ºC	K
endotherm undulations	possible phase transformation	46.82 to 101.61	320 to 375
endotherm	melting with decomposition temperature	228.96	502

Atmospheric pressure: 100.75 kPa

Table 2 Thermographic Data - Determination 2

Thermal Event	Interpretation	Temperature
		ºC	K
endotherm undulations	possible phase transformation	46.52 to 102.10	320 to 375
endotherm	melting with decomposition temperature	228.21	501

Atmospheric pressure: 101.52 kPa

Overall result: melting with decomposition at 502 ± 0.5 K

Discussion

Similar thermographic profiles were obtained using air and nitrogen atmospheres; this indicates that the observed decomposition in both determinations is probably thermal and not oxidative.

To aid in DSC interpretation, a visual assessment was performed using metal block apparatus. The test material was observed to change from a white powder to a white crystalline solid over the temperature range 65 to 101°C. Although the conditions observed in the thermograms at approximately 45 to 100°C are probably due to this change in test material, this has been deemed to be insignificant in the determination of melting/boiling temperature. Although a change in the physical appearance of the test material was observed, no actual change in physical state occurred. The visual assessment indicated that the test material turned brown and liquefied from approximately 183°C. This colour change was indicative of decomposition.

Applicant's summary and conclusion

Conclusions:

The test material has been determined to melt with decomposition at 502 ± 0.5 K at 100.75 to 101.52 kPa. As the test material decomposed on melting, no value for boiling temperature was determined or required.

Executive summary:

The test material was determined to melt with decomposition at 502 ± 0.5 K, by differential scanning calorimetry, using ASTM E537-86, Method A1 of Commission Directive 92/69/EEC and Method 102 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.