Benzyldimethyl(octadecyl)ammonium chloride

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From December 07, 2017 to December 07, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

yes

Remarks:

The deviation has no negative influence on the outcome of the study because no distinct boiling point was observed.

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

yes

Remarks:

The deviation has no negative influence on the outcome of the study because no distinct boiling point was observed.

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

yes

Remarks:

The deviation has no negative influence on the outcome of the study because no distinct boiling point was observed.

GLP compliance:

yes (incl. QA statement)

Type of method:

method according to Siwoloboff

Remarks:

using metal block and photocell detection

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

Atm. press.:

101.3 hPa

Decomposition:

yes

Decomp. temp.:

ca. 200 °C

Remarks on result:

other: Test substance decompose before boiling

Measurement results:

Temperature (˚C) (mean of two determinations)	Observations
	Color	Appearance
155	Colourless	Liquid, clear
160	Light yellow	Liquid, clear
170	Light yellow	Liquid, clear
200	Yellow	Liquid, clear
210	Amber	Liquid, clear
222	Red-brown	Liquid, clear
250	Dark-brown	Liquid, clear
270	Intensive dark-brown	Liquid, clear
300	Black-brown	Liquid, clear
300	Measurement stopped

Conclusions:

Under the study conditions, the initiation of thermal decomposition of the substance was determined to be at 200°C.

Executive summary:

A study was conducted to determine the boiling point of the test substance, C18 ADBAC (active: 97.6%), using siwoloboff method, according to OECD Guideline 103, EU Method A.2 and EPA OPPTS 830.7220, in compliance with GLP. A small amount of the test substance was filled in a boiling tube and packed to a filling level of approximately 5 to 10 mm height. Due to the fact that at the atmospheric pressure of the test laboratory a boiling temperature of the test substance was not observed a correction of the boiling temperature to standard atmospheric pressure was not necessary. The sample was heated up to 155˚C, after the melting of the sample the boiling temperature capillary was put in the boiling tube and the measurement was started with heating range of 1˚C/min up to 300˚C end temperature. A boiling temperature could not be determined up to 300˚C, as the test substance decomposed above 200˚C. Under the study conditions, the initiation of thermal decomposition of the substance was determined to be at 200°C (Wannenwetsch, 2017).

Reference 2

Endpoint:

boiling 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 study likely to be impacted by the presence of residual solvent

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

not specified

GLP compliance:

yes

Type of method:

method according to Siwoloboff

Key result

Boiling pt.:

ca. 159 - ca. 165 °C

Atm. press.:

ca. 1 atm

Decomposition:

no

Boiling point results

Test Substance	Initial Boiling point (°C)	Final Boiling point (°C)	Boiling temperature (°C)	Observations
1014.005	159	167	162	Sighting run
1014.005	159	165	163
1014.005	159	165	163
1014.005	159	165	163
Average	159	165	163
Standard Deviation	0.00	0.00	0.00
Relative Standard Deviation (%)	0.00	0.00	0.00

Conclusions:

Under the study conditions, the boiling point range of the test substance was determined to be 159-165°C.

Executive summary:

A study was conducted to determine the boiling point of the test substance, C18 ADBAC (Purity: 100%), according to the OECD Guideline 103, Siwoloboff  method, in compliance with GLP. Under the study conditions, the boiling point range of the test substance was determined to be 159-165°C (Scymaris, 2017).

Description of key information

The boiling point of the test substance was determined using the siwoloboff method according to OECD Guideline 103, EU Method A.2 and EPA OPPTS 830.7220 (Wannenwetsch, 2017 and Scymaris, 2017).

Additional information

Value used for CSA: no boiling temperature identified due to decomposition

Two studies were available with the test substance:

- Study 1: the test substance decomposes at >200°C (Wannenwetsch, 2017)

- Study 2: boiling point was determined to range from 159 to 165°C (Scymaris, 2017). The measured BP value is suspected to be influenced by residual solvent/impurities.

Overall, both studies support that the test substance will not form gas at room temperature. However, the study with relatively more pure form of the test substance, showing decomposition before boiling has been considered as the key study.