[No public or meaningful name is available]

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

The method used is a calculation to predict the explosive potential of the substance. It is based on the structural groups and the oxygen balance of the molecule.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Chondroitin disaccharide deltadi-4S sodium salt

Cas Number:

136144-56-4

Molecular formula:

C14H19NO14S•2Na

IUPAC Name:

Chondroitin disaccharide deltadi-4S sodium salt

Constituent 2

Reference substance name:

α-deltaUA-[1→3]-GalNAc-6S = α-[4-deoxy-L-threo-hex-4-enopyranosyluronic acid] sodium salt-[1→3]-N-acetyl-D-galactosamine-6-sulphate

Cas Number:

136132-72-4

Molecular formula:

C14H19NO14S•2Na

IUPAC Name:

α-deltaUA-[1→3]-GalNAc-6S = α-[4-deoxy-L-threo-hex-4-enopyranosyluronic acid] sodium salt-[1→3]-N-acetyl-D-galactosamine-6-sulphate

Constituent 3

Reference substance name:

unknown metal constituents

IUPAC Name:

unknown metal constituents

Constituent 4

Reference substance name:

Chloride

Cas Number:

16887-00-6

Molecular formula:

Cl

IUPAC Name:

Chloride

Constituent 5

Reference substance name:

Ethanol

EC Number:

200-578-6

EC Name:

Ethanol

Cas Number:

64-17-5

Molecular formula:

C2H6O

IUPAC Name:

Ethanol

Constituent 6

Reference substance name:

unknown constituent

Molecular formula:

unknown

IUPAC Name:

unknown constituent

Constituent 7

Reference substance name:

Glucuronic acid

EC Number:

229-486-4

EC Name:

Glucuronic acid

Cas Number:

6556-12-3

Molecular formula:

C6H10O7

IUPAC Name:

(2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid / (2S,3S,4S,5R,6R)-3,4,5,6- Tetrahydroxyoxane-2-carboxylic acid

Constituent 8

Reference substance name:

(2R,3S,5R)-3-amino-6-(hydroxyméthyl)oxane-2,4,5-triol

Cas Number:

7535-00-4

Molecular formula:

C6H13NO5

IUPAC Name:

(2R,3S,5R)-3-amino-6-(hydroxyméthyl)oxane-2,4,5-triol

Constituent 9

Reference substance name:

group of unknown constituents

Molecular formula:

unknown

IUPAC Name:

group of unknown constituents

Test material form:

solid

Specific details on test material used for the study:

The substance is a reaction mass of different isomers. However, as these are equivalent, it was deemed appropriate to assess a single isomer only within this assessment.

Results and discussion

Small-scale preliminary tests

Key result

Parameter:

other: experimental explosivity

Remarks on result:

not measured/tested

Remarks:

calculation method was performed instead and show no explosive potential for the substance

Any other information on results incl. tables

No structural groups indicative of explosivity were found in the molecule. The oxygen balance was calculated to be -113.58.

The substance was not predicted to be explosive.

Applicant's summary and conclusion

Interpretation of results:

study cannot be used for classification

Conclusions:

Although the substance has an oxygen balance of > -200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted to be not explosive.