4-(1,1-dimethylethyl)cyclohexyl acrylate

Stability: thermal, sunlight, metals

Administrative data

Endpoint:

thermal stability

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 113 (Screening Test for Thermal Stability and Stability in Air)

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

1

Reference substance name:

4-(1,1-dimethylethyl)cyclohexyl acrylate

EC Number:

282-104-8

EC Name:

4-(1,1-dimethylethyl)cyclohexyl acrylate

Cas Number:

84100-23-2

Molecular formula:

C13H22O2

IUPAC Name:

4-tert-butylcyclohexyl prop-2-enoate

Test material form:

liquid

Specific details on test material used for the study:

lot/batch No.of test material: 150002P040
production date of the lot/batch March 2015

Results and discussion

For thermal stability study

Test substance thermally stable:

yes

Operating temperature

Key result

Operating temp.:

-40 - 500 °C

Remarks on result:

other:

Remarks:

The sample was observed to undergo an exothermic event from 178.6°C which had a heat of decomposition of 300 J.g-1 . This was followed by an endothermic event which commenced from 278.6°C which had a heat of melting of-162.9 J.g-1 . No further significant energetic events were noted up to 500°C.

Sublimation:

not determined

Any other information on results incl. tables

Interpretation of Results

The onset temperature of energetic activity is indicated by examining any deviation in the sample heat flow from the baseline, with a downward deviation indicating endothermic

activity and an upward deviation indicating exothermic activity. The peak height or area under the curve indicates the magnitude of the activity.

DSC data for an exothermic event can be used in order to estimate the temperature at which the time to maximum rate is 24 hours (T 024). The following equation is used:

T_D24 = 0.7 x T - 46

where:

T_D24 = the temperature at which the time to maximum rate is 24 hours (0 C)

T       =the exotherm onset temperature from dynamic DSC data (°C)

The equation is based on the following assumptions:

• a detection limit of 10 W.kg^-1

• a specific heat capacity of 1 kJ.kg^-1.K^-1

• an activation energy of 50 kJ.mol^-1

lt is imperative that safety factors are used when relating DSC test data to large scale plant. Typical safety factors of up to 100°C are used on the first detected onset temperature,

although this will be very dependent on the scale on which the material is to be handled and stored. lf the material is to be stored or handled at a temperature near its thermal threshold

(including a safety factor), it is recommended that further tests are conducted under low heat loss conditions to more accurately quantify a safe maximum exposure temperature. Using a

slow heating rate in the DSC test produces a much more accurate definition of onset temperature than that obtained at higher heating rates, and may enable a reduction in the

safety factor. However, when data gained at high heating rates (2 K.min-1 or higher) is interpreted, safety factors of up to 100°C are commonly used.

A sample is a candidate for classification as a UN Class 1 explosive substance if the heat of decomposition is > 500 J.g-1 . A sample is a candidate for classification as a UN Class 4,

Division 4.1 self-reactive substance if the heat of decomposition is > 300 J.g-1

Test Results

The sample was observed to undergo an exothermic event from 178.6°C which had a heat of decomposition of 300 J.g^-1. This was followed by an endothermic event which commenced from 278.6°C which had a heat of melting of-162.9 J.g^-1 . No further significant energetic events were noted up to 500°C.

The sample is not a candidate for classification as a UN Class 1 explosive substance as the heat of decomposition is < 500 J.g^-1 .

The sample is a candidate for classification as a UN Class 4, Division 4.1 self-reactive substance as the heat of decomposition is >= 300 J.g^-1