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Diss Factsheets

Physical & Chemical properties

Melting point / freezing point

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Administrative data

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Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From October 17, 2017 to October 17, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
capillary method
Remarks:
in a metal block (siwoloboff method)
Specific details on test material used for the study:
Identity: Benzyldimethyl(octadecyl)ammonium chloride
Batch no: 14217
Appearance: White to off white solid
Composition: Benzyldimethyl(octadecyl)ammonium chloride
Content: Cationic activity 97.6%
Expiry date: 06/2019
Storage conditions: Room temperature, in dark, in closed vessel
Key result
Melting / freezing pt.:
63.4 °C
Atm. press.:
101.3 kPa
Decomposition:
no

The melting temperature or range was determined for each sample. Results were reported in degree Celsius.

Measurement results:

Observation Sample 1 Sample 2 Sample 3 Mean
Start of melting 63.6˚C 63.2˚C 63.4˚C 63.4˚C (336.6 K)
No solid particles, clear liquid 63.6˚C 63.2˚C 63.4˚C 63.4˚C (336.6 K)
Conclusions:
Under the study conditions, the melting point of the test substance was determined to be 63.4°C at 101.3 hPa.
Executive summary:

A study was conducted to determine the melting point of the substance, C18 ADBAC (active content: 97.6%), using capillary metal block method, according to OECD Guideline 102, EU Method A.1 and EPA OPPTS 830.7200. To determine the melting behaviour (three independent single measurements), the test substance was measured by capillary method between 10°C and 400°C. The samples were heated to 55˚C and the measurement was started at a heating range of 0.5˚C/min until the melting temperature was reached. Under the study conditions, the melting point of the test substance was determined to be 63.4°C at 101.3 hPa (Wannenwetsch, 2017).

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
November 24, 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The melting point range indicate a relatively lower purity
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
not specified
GLP compliance:
yes
Type of method:
capillary method
Remarks:
in a liquid bath
Key result
Melting / freezing pt.:
ca. 68 - ca. 132 °C
Atm. press.:
ca. 1 atm
Decomposition:
no

Melting point results:

Test Substance

Initial Melting point (°C)

Final Melting point (°C)

1014.005

69

130

1014.005

69

130

1014.005

65

135

Average

68

132

Standard Deviation

1.89

2.36

Relative Standard Deviation (%)

2.79

1.79

Conclusions:
Under the study conditions, the melting point of the test substance was determined to range from 68-132°C
Executive summary:

A study was conducted to determine the melting point of the test substance, C18 ADBAC (active: 89.5%), using capillary liquid bath method, according to the OECD Guideline 102, in compliance with GLP. Under the study conditions, the melting point of the test substance was determined to range from 68-132°C at 1 atm pressure (Scymaris, 2017).

Description of key information

The melting point of the test substance was determined using the capillary metal block and liquid bath methods, according to the OECD Guideline102, EU Method A.1 and EPA OPPTS 830.7200 (Wannenwetsch, 2017 and Scymaris, 2017).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
63.4 °C

Additional information

Two studies were available with the test substance:

- Study 1: 63.4°C (Wannenwetsch, 2017)

- Study 2: MP ranged from 68-132°C (Scymaris, 2017)

Overall, both the studies support the physical state of the substance. However, the study with a more defined melting point, indicating a more purer form of the test substance, has been considered as the key study.