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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23 May 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Capillary method
Specific details on test material used for the study:
Name: Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex3-ene-1-carbonitrile and 4-(4-methyl-3- pentenyl)cyclohex-3-ene-1-carbonitrile
Other name: Azuril
CAS number: 68084-04-8/21690-43-7
Batch/Lot number: A170421E
Appearance: Clear, almost colourless liquid
Purity: 99.35%
Expiry date: 06 June 2019
Storage conditions: Controlled room temperature (15-25 °C, below 70RH%), under inert gas, protected from humidity
Safety precautions: Routine safety precautions (gloves, goggles, face mask, lab
coat) for unknown materials were applied to assure personnel health and safety

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
Storage condition of test material: Controlled room temperature (15-25°C, below 70% RH), under inert gas, protected from humidity
Safety precautions: Routine safety precautions (gloves, googles, face mask, lab coat) for unknown materials were applied to assure personnel health and safety
Key result
Boiling pt.:
ca. 294 °C
Atm. press.:
ca. 98 kPa
Remarks on result:
other: (95 % confidence interval)
Remarks:
Linear heating rate of 0.5 °C/min.

Table 1. Measured temperatures corresponding to the boiling point of the test item (three experiments (I,II, III) with two parallel samples each (1, 2) Main study results.

   I/1 (°C)  I/2 (°C) II/1 (°C) III/1 (°C) III/2 (°C) Mean (°C)
 Boiling point  298.7

298.3

296.8

296.9

296.9

297.4

Conclusions:
The boiling point of the test substance, Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1- carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile (Azuril), was determined to be 297.4 ± 0.91 °C.
Executive summary:

The boiling point Azuril was determined using a digital melting point device (Buchi B540 Melting Point Unit) with a temperature range up to 400 °C (673 K), following a method in line with OECD 103 and EU Method A.2 guidelines. Following this method, the boiling point of the test material, Azuril (Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1- carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile) was determined to be 297.4 ± 0.91 °C.

Description of key information

The boiling point Azuril was determined using a digital melting point device (Buchi B540 Melting Point Unit) with a temperature range up to 400 °C (673 K), following a method in line with OECD 103 and EU Method A.2 guidelines. Following this method, the boiling point of the test material, Azuril (Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1- carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile) was determined to be 297.4 ± 0.91 °C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
297.4 °C

Additional information

The aim of this study was to determine the boiling point of the test substance, Azuril (Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene1-carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene1-carbonitrile). The test was carried out using a digital melting point device (Buchi B540 Melting Point Unit) with a temperature range up to 400 °C (673 K), following a method in line with OECD 103 and EU Method A.2 guidelines.

For the determination of the boiling point, the capillary method was used. A small amount of the test substance was heated in the electronic controlled sample block. The sample was observed visually whilst the temperature was raised. A phase transformation from liquid to vapour usually is deduced by the formation of bubbles. The test material was assessed visually for any possible changes in its appearance, consistency and colour. The initial temperature of boiling or other effects observed was registered with the corresponding heating temperature.

Following this method, the boiling point of the test material, Azuril (Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1- carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile) was determined to be 297.4 ± 0.91 °C.