Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

Biodegradation in water and sediment: simulation tests

Administrative data

Endpoint:

biodegradation in water: simulation testing on ultimate degradation in surface water

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2002

Reliability:

1 (reliable without restriction)

Justification for type of information:

Read-across from the analogue substance RDX. Please see the RA justification document in section 13.

Data source

Reference

Reference Type:

publication

Title:

Unnamed

Year:

2002

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

EPA OPPTS 835.5154 (Anaerobic Biodegradability in the Subsurface)

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

Perhydro-1,3,5-trinitro-1,3,5-triazine

EC Number:

204-500-1

EC Name:

Perhydro-1,3,5-trinitro-1,3,5-triazine

Cas Number:

121-82-4

Molecular formula:

C3H6N6O6

IUPAC Name:

Perhydro-1,3,5-trinitro-1,3,5-triazine

Study design

Oxygen conditions:

anaerobic

Inoculum or test system:

activated sludge, adapted

Duration of test (contact time):

>= 36 d

Results and discussion

% Degradation

% Degr.:

72.3

St. dev.:

0.8

Parameter:

CO2 evolution

Sampling time:

36 d

Transformation products:

yes

Identity of transformation products

Identity of transformation products 1

No.:

#1

Reference

Reference substance name:

Unnamed

IUPAC name:

Methylenedinitramine

Identity of transformation products 2

No.:

#2

Reference

Reference substance name:

Unnamed

IUPAC name:

hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine

Identifier:

common name

Identity:

hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine

Identity of transformation products 3

No.:

#3

Reference

Reference substance name:

Unnamed

IUPAC name:

hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine

Identifier:

common name

Identity:

hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine

Identity of transformation products 4

No.:

#4

Reference

Reference substance name:

Unnamed

IUPAC name:

1,3,5-trinitroso-1,3,5-triazinane

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 237-766-2]

CAS number:

13980-04-6

Identity of transformation products 5

No.:

#5

Reference

Reference substance name:

Unnamed

IUPAC name:

formaldehyde

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 200-001-8]

CAS number:

50-00-0

Identity:

Formaldehyde

Molecular formula:

CH2O

Molecular weight:

30.026

SMILES notation:

C=O

InChl:

InChI=1/CH2O/c1-2/h1H2

Identity of transformation products 6

No.:

#6

Reference

Reference substance name:

Unnamed

IUPAC name:

methanol

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 200-659-6]

CAS number:

67-56-1

Identity:

Methanol

Molecular formula:

CH4O

Molecular weight:

32.042

SMILES notation:

CO

InChl:

InChI=1/CH4O/c1-2/h2H,1H3

Identity of transformation products 7

No.:

#7

Reference

Reference substance name:

Unnamed

IUPAC name:

Carbon dioxide

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 204-696-9]

CAS number:

124-38-9

Identifier:

common name

Identity:

Carbonic acid gas

Molecular formula:

CO2

Molecular weight:

ca. 44

SMILES notation:

O=C=O

InChl:

InChI=1S/CO2/c2-1-3

Identity of transformation products 8

No.:

#8

Reference

Reference substance name:

Unnamed

IUPAC name:

nitrous oxide

Applicant's summary and conclusion

Validity criteria

Validity criteria fulfilled:

yes

Conclusions:

Klebsiella pneumoniae demonstrated an initial denitration followed by ring cleavage and decomposition, whereas the second strain, Clostridium bifermentans, induced an initial reduction of RDX to MNX, followed by denitration and decomposition. Both strains produced a similar product distribution including MEDINA, N2O, HCHO, MeOH, and CO2.

Executive summary:

HMX and RDX have been demonstrated to be very similar in structure, physical/chemical properties and toxicological profile in the Analogue Approach - Read Across High Melting Explosive (HMX) (2013) document (attached in section 13). It is expected that HMX and RDX have nearly the same environmental fate and behaviour. Therefore, a read-across from HMX to data obtained with RDX is scientifically justified.