4-methylcyclohexanone

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

density, other

Remarks:

density

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1993

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

Purity specified. No details on experimental method or setup reported.

Principles of method if other than guideline:

no information on method in publication.

GLP compliance:

no

Type of method:

other: no information available

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Merck
- Purity: "high purity", >99%

Key result

Type:

density

Density:

0.916 g/cm³

Temp.:

20 °C

The publication reports the temperature in Kelvin.

Conclusions:

The density for 4-Methycylohexanone at 293.15K (20°C) was reported to be 0.91641 g/cm^3. No details on the experimental density determination were reported.

Executive summary:

The density of 4 -methycylohexanone (>99%) at 293.15 K was reported as 0.91641 g/cm^3.

Reference 2

Endpoint:

relative density

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.

Qualifier:

no guideline followed

Principles of method if other than guideline:

No information on the method used was reported.

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.

Key result

Type:

relative density

Remarks:

D20/4

Density:

0.916

Temp.:

20 °C

Type:

relative density

Remarks:

D0/4

Density:

0.932

Temp.:

0 °C

Further density results reported: at 15°C: 0.9198 and at 30°C: 0.9072.

Conclusions:

The relative density (dimentionless) of 4-Methylcyclohexanone at 20°C was reported as 0.9156. No details on the method used were provided.

Executive summary:

The relative density of 4-Methylcyclohexanone at 20°C was reported as 0.9156.

Reference 3

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

Some details on purification. Experimental details in reference.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Densities were measured over a range of temperatures as decribed in "Part II (loc. cited)".

GLP compliance:

no

Type of method:

other: Information on the method provided in references.

Specific details on test material used for the study:

4-Methylcyclohexanone was purified through the semicarbazone (m.p.197°C). Boiling point reported as 170°C at 761mmHg.

Key result

Type:

relative density

Remarks:

D20/4

Density:

0.914

Temp.:

20 °C

Relative densities determined at 20°C: 0.9145, 23.2°C: 0.9120, 60.5°C: 0.8835, 60.9°C: 0.8832, 85.9°C: 0.8269.

The relative density at 20°C was calculated from the observed densities assuming a linear correlation with temperature.

Conclusions:

The density of 4-Methylcyclohexanone is 0.9145 at 20 °C

Executive summary:

The density of 4-Methylcyclohexanone is 0.9145 at 20 °C

No information about the method is given.

Description of key information

Three representative publications were selected from the available literature reporting the density / relative density for 4-methylcyclohexanone:

0.91641g/cm^3, 20°C, no method reported, (Aucejo, 1993)

0.9156, D20/4, no method reported, (Chiurdoglu, 1938)

0.9145, D20/4, no method reported, (Vogel, 1938)

 

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 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. The most recently measured value (Aucejo, 1993) was taken forward (dimentionless, assuming density at 4°C = 1g/cm^3) for the purposes of risk assessment.

Key value for chemical safety assessment

Relative density at 20C:

0.916