Registration Dossier
Registration Dossier
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EC number: 271-668-0 | CAS number: 68603-62-3
Explosiveness
Administrative data
Link to relevant study record(s)
- 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 study does not need to be conducted as there are no structural alerts (see RIP 3.2.2 on R7 tabled R7-28) and the calculated oxygen balance of the known consituents are all less than -200.
Oxygen balance calculations:
Constituent 1:
Molecular Formula: C25H45NO3S
Molecular Weight: 439.6947 g/mol
Calculated oxygen balance = -252.9
Constituent 2:
Molecular Formula: C26H47NO3S to C28H51NO3S
Molecular Weight: 453.7213 to 481.7744 g/mol
Calculated oxygen balance = -255.7 to -260.7
Constituent 3:
Molecular Formula: C24H43NO3S
Molecular Weight: 425.6681 g/mol
Calculated oxygen balance = -250.0
Constituent 4:
Molecular Formula: C26H47NO3S
Molecular Weight: 453.7213 g/mol
Calculated oxygen balance = -255.7
Constituent 5:
Molecular Formula: C27H49NO3S to C29H53NO3S
Molecular Weight: 467.74786 to 495.801 g/mol
Calculated oxygen balance = -258.3 to -263.0
Constituent 6:
Molecular Formula: C25H45NO3S
Molecular Weight: 439.6947 g/mol
Calculated oxygen balance = -252.9
Constituent 7:
Molecular Formula: C27H49NO3S
Molecular Weight: 467.7479 g/mol
Calculated oxygen balance = -258.3
Constituent 8:
Molecular Formula: C28H51NO3S to C30H55NO3S
Molecular Weight: 481.7744 to 509.8276 g/mol
Calculated oxygen balance = -260.7 to -265.2
Constituent 9:
Molecular Formula: C26H47NO3S
Molecular Weight: 453.7213 g/mol
Calculated oxygen balance = -255.7
Constituent 10:
Molecular Formula: C29H53NO3S to C32H59NO3S
Molecular Weight: 495.801 to 537.8808 g/mol
Calculated oxygen balance = -263.0 to - 269.2
Constituent 11:
Molecular Formula: C30H55NO3S to C35H65NO3S
Molecular Weight: 509.8276 to 579.9605 g/mol
Calculated oxygen balance = -265.2 to -274.5
Constituent 12:
Molecular Formula: C28H51NO3S to C31H57NO3S
Molecular Weight: 481.7744 to 523.8542 g/mol
Calculated oxygen balance = -260.7 to -267.2
Constituent 13:
Molecular Formula: C22H61NO3S
Molecular Weight: 551.9073 g/mol
Calculated oxygen balance = -207.3
Constituent 14:
Molecular Formula: C34H63NO3S to C36H67NO3S
Molecular Weight: 565.9339 to 593.9871 g/mol
Calculated oxygen balance = -272.8 to -276.1
Constituent 15:
Molecular Formula: C32H59NO3S
Molecular Weight: 537.8808 g/mol
Calculated oxygen balance = -269.2
Constituent 16:
Molecular Formula: C12H27N - C14H31N
Molecular Weight: 185.34948 - 213.40264 g/mol
Calculated oxygen balance = -323.7 to -326.1
Oxygen Balance, as defined by Lothrop and Handrick(1949) and calculated as:
Oxygen Balance = -1600 (2x + y/2 - z)/M
Where for an organic compound:
CxHyOz
M: molecular weight.
Reference
Description of key information
Explosiveness: non-explosive based on structural assessment of the substance and calculated oxygen balance < -200 for all identified constituents.
Key value for chemical safety assessment
- Explosiveness:
- non explosive
Additional information
Waiver – In accordance with the specific rules for adaptation listed in Paragraph 7.11, Column 2, Annex VII, Regulation (EC) 1907/2006 of 18 December 2006, an explosiveness study “does not need to be conducted if there are no chemical groups associated with explosive properties present in the molecule, or the substance contains chemical groups associated with explosive properties which include oxygen and the calculated oxygen balance is less than -200”. Following structural assessment of all constituent groups, no groups associated with explosive properties. Additionally, the oxygen balance of all constituent groups was calculated. All constituent groups were determined to have an oxygen balance of ≤ - 207.3.
Furthermore, handling and use confirm that the substance does not have explosive properties. According to ECHA Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.7a: Endpoint Specific Guidance, R.7.1.11, July 2017) the study does not need to be conducted.
The test item cannot be categorised in accordance with Commission Regulation (EC) No 1272/2008 (Classification Labelling and Packaging) of 16 December 2008.
Justification for classification or non-classification
The test item is not classified as explosive in accordance with the screening procedure defined in Section 2.1.4.3., Annex II of Regulation (EC) 1272/2008 of 16 December 2008. The test item does not contain constituents which have chemical groups associated with explosive properties nor does the test item contain any constituents which have a calculated oxygen balance of greater than -200.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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