Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt (1:1)

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties

Justification for type of information:

JUSTIFICATION FOR DATA WAIVING
The cited reference includes the following expert statement:
A test substance is considered explosive when it can react to produce very rapid increases in temperature or pressure.
None of the components of the test substance contains chemical groups which are associated with explosive properties.

Oxygen balance
The oxygen balance of the main component of the test substance was determined using the following formula:
Oxygen balance: -1600 x ([(2X + (Y/2) - Z]/MW) (%)

where:
X = number of carbon atoms
Y = number of hydrogen atoms
Z = number of oxygen atoms
MW = molecular weight of the test substance [g/mol]

The oxygen balance was calculated for the organic part of the components. A sulphur atom is equivalent to a carbon atom. A phosphorus atom is equivalent to 1.25 carbon atom. The number of sulphur and phosphorus atoms was included to the number of carbon atoms.

The oxygen balance of diisobutylmonothiophosphate (87.3%) was -188%, the oxygen balance of bis(2-methylpropoxy)phosphoryl disulfanyl phosphate (5.4%) was- 135% and the oxygen balance of diisobutyldithiophosphate (2.1%) was -196%. For these components the oxygen balance is higher than -200%. The value is obtained due to the presence of an (di)thiophosphate group or disulfanyl phosphate group in the molecular structure of the test substance. These types of groups are not chemically instable or highly energetic. Based on this the components are considered to pose no risk for explodability.

The oxygen balance of dicresyldithiophosphate (3.4%) was -204%, which is less than -200%. According to this, this component is considered to pose no risk for explodability.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6316 (Explodability)

Deviations:

no

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

Sodium O,O-diisobutyl phosphorothioate

EC Number:

610-992-2

Cas Number:

53378-52-2

Molecular formula:

C8 H18 O3 P S . Na

IUPAC Name:

Sodium O,O-diisobutyl phosphorothioate

Test material form:

other: grease-like solid

Specific details on test material used for the study:

- Name of test material (as cited in study report): S10821; AERO® 6697 Promoter distilled
- Name: Sodium diisobutyl monothiophoshate
- CAS: 53378-52-2
- Molecular formula: C8H18O3PS.Na
- Molecular weight: 248.26
- Storage condition of test material: not indicated in the study report
- Batch no.: 20154-189-B
- Purity: 87.3%

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Executive summary:

The test substance has no explosive properties based on its chemical structure in accordance with EC A.14 and UN guidelines.