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EC number: 244-216-5 | CAS number: 21112-37-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Explosiveness
Administrative data
Link to relevant study record(s)
- Endpoint:
- explosive properties of explosives
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Calculation of oxygen balance and comparison of structural formula against molecular groups of concern
- Adequacy of study:
- key study
- Study period:
- 2018-05-29
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The report compares 2-tert-butyl-1,4-dimethoxybenzene to the classification criteria for explosives, namely molecular groups being listed as of concern and oxygen balance.
- GLP compliance:
- not specified
- Remarks:
- Not experimental study but comparison of structural formula against critera
- Specific details on test material used for the study:
- Trade name: Vetimoss
Substance name: 2-tert-butyl-1,4-dimethoxybenzene
CAS No.: 21112-37-8
EINEC No.: 244-216-5
Main constituent molecular formula: C12H18O2 - Parameter:
- other: Calculation based on oxygen balance
- Value:
- -255.31
- Remarks on result:
- negative (not further specified)
- Remarks:
- Oxygen balance: -255.31
- Parameter:
- other: Review of molecular structure
- Remarks on result:
- negative (not further specified)
- Remarks:
- Substance does not contain alerts based on structural groups
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- By assessing the chemical formula and structure of Vetimoss, the oxygen balance was predicted to be <-200. The substance does not have chemical structures associated with explosive potential. Based on these results, the test substance Vetimoss was predicted to not be explosive.
- Executive summary:
By assessing the chemical formula and structure of Vetimoss, the oxygen balance was predicted to be <-200. The substance does not have chemical structures with explosive potential. Based on these results, the test substance Vetimoss was predicted to not be explosive.
Reference
Oxygen balance
Oxygen balance (%) = -1600/molecular weight of substance x (2X + (Y/2) + M-Z) where X is the number of carbon atoms, Y is the number of hydrogen atoms, Z is the number of oxygen atoms and M is the number of metal atoms (metallic oxide produced).
Main constituent molecular formula: C12H18O2
Substance molecular weight: 194.273
Oxygen balance: -255.31 %
Potentially explosive based on OB greater than -200%: No
Structural group evaluation
Inorganic and organic peroxides: No
Epoxides: No
Inorganic and organic ozinides: No
Inorganic and organic chlorates: No
Inorganic and organic perchlorates: No
-N-X2 where X is a halogen: No
Inorganic and organic nitroso compounds: No
Azo: No
Diazo: No
Azides: No
Tetrazole: No
Triazene: No
Fulminates: No
Acetylene and metal acetylides: No
Metal alkyl: No
Based on structrual groups, is the substance potentially explosive: No
Explosive conclusion: Not explosive
Description of key information
By assessing the chemical formula and structure of Vetimoss, the oxygen balance was predicted to be <-200. The substance does not have chemical structures associated with explosive potential. Based on these results, the test substance Vetimoss was predicted to not be explosive.
Key value for chemical safety assessment
- Explosiveness:
- non explosive
Additional information
Justification for classification or non-classification
By assessing the chemical formula and structure of Vetimoss, the oxygen balance of both constituents were predicted to be <200. Neither substance have chemical structures with explosive potential. Based on these results, the test substance Vetimoss was predicted to not be explosive.
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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