(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 December 2017 - 07 June 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: UN Manual of Tests and Criteria, Appendix 6 "Screening procedures" - Screening procedures for substances which may have explosive properties

Version / remarks:

Rev. 6 (2015)

Deviations:

no

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

EC Number:

608-630-3

Cas Number:

31528-46-8

Molecular formula:

C20H24O2

IUPAC Name:

(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Test material form:

solid: particulate/powder

Details on test material:

Appearance: Off-white powder
Test item storage: At room temperature

Results and discussion

Small-scale preliminary tests

Small-scale preliminary tests 1

Key result

Parameter:

other: exothermic decomposition energy [J/g]

Value:

217

Remarks on result:

other: mean of 3 experiments

Remarks:

Substance has no expolosive properties, since the exothermic decomposition energy was below 500 J/g.

Small-scale preliminary tests 2

Key result

Parameter:

other: onset of the exothermic decomposition [°C]

Remarks on result:

other: exothermic decomposition effects observed at temperatures between 249°C and 478°C

Any other information on results incl. tables

In all three experiments, endothermic and exothermic effects were observed between 225°C and 500°C.  See attached DSC curves.

The first endothermic effect was most likely caused by melting of the test item. The other effects were ascribed to reaction and/or decomposition of the test item. 

In the first experiment three exothermic peaks were observed. The extrapolated onset temperatures of the effects were 249.435°C (first effect), 335.249°C (second effect) and 478.035°C (third effect). The exothermic decomposition energy was 69.725 J/g (first effect), 147.98 J/g (second effect) and 44.142 J/g (third effect). 

In the second experiment two exothermic peaks were observed. The extrapolated onset temperatures of the effects were 248.924°C (first effect) and 337.967°C (second effect). The exothermic decomposition energy was 79.809 J/g (first effect) and 110.58 J/g (second effect). 

In the third experiment two exothermic peaks were observed. The extrapolated onset temperatures of the effects were 249.638°C (first effect) and 338.236°C (second effect). The exothermic decomposition energy was 77.488 J/g (first effect) and 121.35 J/g (second effect).

Since multiple exothermic effects were observed, the sum of the exothermic decomposition was determined (i.e. 261.85 J/g for Experiment 1, 190.39 J/g for Experiment 2 and 198.84 J/g for Experiment 3).

The difference between the minimum and maximum exothermic decomposition energy was >10%, i.e. 38%. Since the exothermic decomposition energy was below 500 J/g, these results were accepted.

After the experiments, a dark brown molten residue remained at the bottom of the sample container and the sample container had expanded. It indicated that melting and reaction and/or decomposition of the test item occurred during the test.

 

INTERPRETATION - DATA EVALUATION

Though all exothermic decomposition onset temperatures were below 500°C, the corresponding exothermic decomposition energies were well below 500 J/g.

In accordance with Table A6.2 of the UN Manual of Tests and Criteria, Appendix 6 "Screening procedures" - Screening procedures for substances which may have explosive properties it is concluded that the acceptance procedure for Class 1 expolsives does not need to be applied.

The substance has no explosive properties.

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Remarks:

and also not classified under CLP

Conclusions:

The substance has no explosive properties.