1-Octanamine, N,N-dimethyl-, N-oxide

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

November 1st, 2007 - July 09th, 2008

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

- Analytical purity: 82.3%
- Purity test date: Not available
- Lot/batch No.: GN-8
- Expiration date of the lot/batch: Not available
- Appearance: Amber coloured, extremely viscous liquid
- Storage: In the dark at room temperature
- Additional information on test material used for the study: It was attempted to purify the substance to a purity of >80% by using an alternative synthetic route, as opposed to the usual commercial route of synthesis which results in a purity of the substance of approximately 40% in water. This alternative synthetic route generated the substance at 82.3% purity, however it also generated an impurity (methanol at 4.0%) which is not present in the commercial substance. Based on the classification and labelling of methanol, it is considered that this additional impurity would not have an influence on any of the endpoints discussed in this dossier other than the acute oral toxicity study. Therefore all studies (including the one covering this endpoint) contained in this dossier (other than the acute oral toxicity study) were conducted on the 82.3% pure substance containing the 4.0% methanol impurity. The acute oral toxicity study has been conducted on the commercially generated substance at a purity of approximately 40% in water.

Key result

Boiling pt.:

380 °C

Remarks on result:

other: calculated using an adaptation of the Stein and Brown method, MPBPWIN version 1.42

The test material has been determined to boil in the range 143 to 169 ± 0.5°C (416 to 442 ± 0.5 K) at 99.6 kPa. However, as the test material contained approximately 20% water, the boiling endotherm was considered to be the water boiling off, especially as the residue in both cases was a brown solid. Also, due to a lack of evidence of melting, boiling and/or decomposition of the active material in the thermograms, it was considered that the residue, in both cases, was due to (dry) active material.

Overall, it was considered that the boiling temperature of the active material had been determined to be greater than 400°C (673 K) at 99.6 kPa. The sponsor had indicated that the test material decomposes above 60°C but this could not be proven as the water boiling endotherm was so large and so wide that any decomposition of the active material, between approximately 120 and 200°C, would be masked.

Due to problems with the water boiling endotherm, the boiling temperature was calculated using an adaptation of the Stein and Brown method, MPBPWIN version 1.42, © US EPA. The calculated result was 380°C (653 K).

Conclusions:

The test material was determined to boil in the range 143 to 169 ± 0.5°C (416 to 442 ± 0.5 K) at 99.6 kPa. However, as the test material contained approximately 20% water, the boiling endotherm was considered to be the water boiling off, especially as the residue was a brown solid. Also, due to a lack of evidence of melting, boiling and/or decomposition of the active material in the thermograms, it was considered that the residue was due to (dry) active material. Due to problems with the water boiling endotherm, the boiling temperature was calculated using an adaptation of the Stein and Brown method, MPBPWIN version 1.42. The calculated result was 380°C (653 K).

Executive summary:

The boiling point of the test material was measured in a GLP-compliant study performed in accordance with EU Method A.2 method, using Differential Scanning Calorimetry (DSC). The test material was determined to boil in the range 143 to 169 ± 0.5°C (416 to 442 ± 0.5 K) at 99.6 kPa. However, as the test material contained approximately 20% water, the boiling endotherm was considered to be the water boiling off, especially as the residue was a brown solid. Also, due to a lack of evidence of melting, boiling and/or decomposition of the active material in the thermograms, it was considered that the residue was due to (dry) active material. Due to problems with the water boiling endotherm, the boiling temperature was calculated using an adaptation of the Stein and Brown method, MPBPWIN version 1.42. The calculated result was 380°C (653 K).

Description of key information

The boiling point of the test material was measured in a GLP-compliant study performed in accordance with EU Method A.2 method, using Differential Scanning Calorimetry (DSC). The test material was determined to boil in the range 143 to 169 ± 0.5°C (416 to 442 ± 0.5 K) at 99.6 kPa. However, as the test material contained approximately 20% water, the boiling endotherm was considered to be the water boiling off, especially as the residue was a brown solid. Also, due to a lack of evidence of melting, boiling and/or decomposition of the active material in the thermograms, it was considered that the residue was due to (dry) active material. Due to problems with the water boiling endotherm, the boiling temperature was calculated using an adaptation of the Stein and Brown method, MPBPWIN version 1.42. The calculated result was 380°C (653 K).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

380 °C