4-methylcyclohexanone

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1973

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

No details on the method used or experimental setup. Substance identity confirmed spectroscopically.

Qualifier:

no guideline followed

Principles of method if other than guideline:

No details on the method used were reported.

GLP compliance:

no

Type of method:

other: method not reported

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: A sample of 4-methylcyclohexanone was prepared as reference material, according to the method by Pezold M. et al, J. Amer. Chem. Socl, 64, 4707 (1932). Substance identity was confirmed with H-NMR, IR and comparison to literature boiling point.

Key result

Boiling pt.:

>= 169 - <= 170 °C

Atm. press.:

ca. 1 atm

The pressure was not explicitly reported, but was assumed by the registrant to be atmospheric pressure.

Conclusions:

The boiling point for 4-methylcyclohexanone was reported as 169-170°C at atmospheric pressure.

Executive summary:

The boiling point for 4-methylcyclohexanone prepared as a chromatography reference material was reported as 169-170°C at atmospheric pressure.

Reference 2

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1965

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

No details on the method used or experimental setup. Some details given on sample purification.

Qualifier:

no guideline followed

Principles of method if other than guideline:

No details were reported on the method used.

GLP compliance:

no

Type of method:

distillation method

Remarks:

assumed to be distillation method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Eastman Organic Chemicals

Key result

Boiling pt.:

>= 168 - <= 171 °C

Atm. press.:

ca. 1 atm

Pressure assumed by the registrant to be atmospheric. The refractive index of the twice distilled test material was measured to be 1.4429.

Conclusions:

The boiling point for 4-methylcyclohexanone, measured as part of a purification by double distillation, was reported as 168-171°C.

Executive summary:

The boiling point for 4-methylcyclohexanone was reported as 168-171°C.

Reference 3

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1938

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

No details on the method used or experimental setup. Some details on sample purification provided.

Principles of method if other than guideline:

no information on the technical method given.

GLP compliance:

no

Type of method:

other: method not reported

Specific details on test material used for the study:

Commercially available 4-Methylcyclohexanone was purified as follows:
4-Methylcyclohexanone was treated with a freshly prepared oversaturated filtered solution of sodium hydrogene sulfite. After shaking strongly for 3 hours the system was frozen. The next day, the solid parts were dried and washed extensively with cold ether. As soon as dried, the bisulfite derivates were decomposed with sodium carbonate. The 4-methylcyclohexanone released was rectified systematically by powerful Crismer Columns (35 spires) with external heating.

Boiling pt.:

171.25 °C

Atm. press.:

760 mm Hg

no information on method in the publication.

Conclusions:

The boiling point for 4-methylcyclohexanone was reported as 171.25°C at 760mmHg. No method was reported in the publication for the method used.

Executive summary:

The boiling point for purified 4-methylcyclohexanone was reported as 171.25°C at 760mmHg.

Description of key information

Three representative publications were selected from the available literature reporting a boiling point for 4-methylcyclohexanone:

168 -171°C, ca. 1 atm, distillation (Elliott, 1965)

171.25°C, 760mmHg, method not reported (Chiurdoglu, 1938)

169 -170, ca. 1 atm, method not reported (Kwart, 1973)

 

All three primary data sources were assigned a Klimisch reliability rating of 4, due to the lack of experimental details reported in the publications. The values reported by the three independent research groups, measured on independently synthesised samples, at different times, are all in very good agreement. As a result, in accordance with REACH, Annex XI, 1.2, this standard data requirement is considered to be met based on the weight of evidence. Overall the available data is considered to be adequate, relevant, and reliable, and no further testing is required for this endpoint. Because a specific value is required to be reported (as opposed to a range), the average of the above averaged values was taken, and carried forward for the purposes of risk assessment and classification.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

170 °C