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5-t-butyl-2,4,6-trinitro-m-xylene is a synthetic nitroaromatic musk commonly known as musk xylene or musk xylol.
5-t-butyl-2,4,6-trinitro-m-xylene is a crystalline solid possessing a strong, sweet, persistent musk-like odor.
5-t-butyl-2,4,6-trinitro-m-xylene was historically used as a fragrance fixative, but current applications are substantially limited by explosive, carcinogenicity, persistence, bioaccumulation, and aquatic-toxicity concerns.
CAS Number: 81-15-2
EC Number: 201-329-4
Molecular Formula: C₁₂H₁₅N₃O₆
Molecular Weight: 297.26 g/mol
SYNONYMS
Musk Xylene, Musk Xylol, Xylene Musk, Xylol Musk, 5-tert-Butyl-2,4,6-trinitro-m-xylene, 5-t-Butyl-2,4,6-trinitro-m-xylene, 5-tert-Butyl-2,4,6-trinitroxylene, 2,4,6-Trinitro-5-tert-butyl-m-xylene, 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene, 2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene, 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene, 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene, Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-, m-Xylene, 5-tert-butyl-2,4,6-trinitro-, meta-Xylene Musk, Trinitro-tert-butyl-m-xylene, Trinitrobutylxylene, tert-Butyltrinitroxylene, Butyltrinitroxylene, Trinitrobutyl-m-xylene, 3,5-Dimethyl-1-tert-butyl-2,4,6-trinitrobenzene, 3,5-Dimethyl-2,4,6-trinitro-tert-butylbenzene, 5-tert-Butyl-2,4,6-trinitro-meta-xylene, 1,3-Dimethyl-5-tert-butyl-2,4,6-trinitrobenzene, Artificial Musk Xylene, Synthetic Musk Xylene, Synthetic Nitro Musk, Nitro Musk Xylene, Nitroaromatic Musk, Trinitro Musk, Aromatic Nitro Musk, Benzenoid Nitro Musk, Musk Fragrance Fixative, Powdery Musk Odorant, Persistent Musk Odorant, Historical Fragrance Ingredient, Historical Soap Fragrance, Historical Detergent Fragrance, Historical Cosmetic Fragrance, Fragrance Analytical Standard, Environmental Musk Xylene Standard, Musk Xylene Residue Standard, Musk Xylene Metabolite Parent Standard, Regulatory Musk Xylene Standard, High-Purity Musk Xylene, Analytical-Grade Musk Xylene, Technical-Grade Musk Xylene, C₁₂H₁₅N₃O₆, CAS 81-15-2, EC 201-329-4, UN 2956, PubChem CID 62329, NSC 59844, DTXSID1021405, XMWRWTSZNLOZFN-UHFFFAOYSA-N
APPLICATIONS
5-t-butyl-2,4,6-trinitro-m-xylene historically served as a powerful base note in fine-fragrance compositions requiring a warm and persistent musk character.
5-t-butyl-2,4,6-trinitro-m-xylene provided sweetness, diffusion, powderiness, and long-lasting odor retention in complex perfume accords.
5-t-butyl-2,4,6-trinitro-m-xylene supported blending with floral, woody, amber, balsamic, aldehydic, and animalic fragrance materials.
5-t-butyl-2,4,6-trinitro-m-xylene enabled perfumers to extend the perceived life of more volatile fragrance components through its low volatility and substantive odor.
5-t-butyl-2,4,6-trinitro-m-xylene historically functioned as a fragrance fixative in colognes, toilet waters, aftershaves, and related alcohol-based compositions.
5-t-butyl-2,4,6-trinitro-m-xylene contributed a rounded musk background capable of softening sharp citrus, aromatic, and aldehydic top notes.
5-t-butyl-2,4,6-trinitro-m-xylene supported fragrance persistence after evaporation of alcohol and other highly volatile carriers.
5-t-butyl-2,4,6-trinitro-m-xylene now requires strict market-specific assessment because European cosmetic use remains concentration-restricted while European industrial use is also subject to REACH authorisation requirements.
5-t-butyl-2,4,6-trinitro-m-xylene historically served as an odorant in toilet soaps and fragranced cleansing bars.
5-t-butyl-2,4,6-trinitro-m-xylene resisted immediate loss during soap storage because of its high molecular weight and very low vapor pressure.
5-t-butyl-2,4,6-trinitro-m-xylene helped mask fatty, alkaline, surfactant, and process-related odors in finished soap compositions.
5-t-butyl-2,4,6-trinitro-m-xylene contributed a recognizable musky dry-down after compatible soap products contacted water and skin.
5-t-butyl-2,4,6-trinitro-m-xylene historically functioned as a perfume component in laundry detergents.
5-t-butyl-2,4,6-trinitro-m-xylene supported musk accords designed to survive storage in products containing surfactants, builders, salts, and other functional ingredients.
5-t-butyl-2,4,6-trinitro-m-xylene contributed fragrance substantivity on laundered textiles through its hydrophobic and low-volatility character.
5-t-butyl-2,4,6-trinitro-m-xylene has largely been replaced in detergent fragrances because wastewater discharge can contribute to persistent environmental contamination and bioaccumulation.
5-t-butyl-2,4,6-trinitro-m-xylene historically served as a fragrance component in fabric-softening and textile-care preparations.
5-t-butyl-2,4,6-trinitro-m-xylene provided a powdery musk effect associated with softness, cleanliness, and long-lasting fabric freshness.
5-t-butyl-2,4,6-trinitro-m-xylene supported deposition on hydrophobic portions of textile fibers and formulation residues.
5-t-butyl-2,4,6-trinitro-m-xylene requires avoidance or substitution in modern formulations where environmental criteria prohibit very persistent and very bioaccumulative substances.
5-t-butyl-2,4,6-trinitro-m-xylene historically found application in creams, lotions, shampoos, deodorants, and other fragranced personal-care formulations.
5-t-butyl-2,4,6-trinitro-m-xylene helped mask odors from surfactants, emollients, waxes, preservatives, and other functional raw materials.
5-t-butyl-2,4,6-trinitro-m-xylene contributed a persistent musk background capable of remaining detectable after application or rinsing.
5-t-butyl-2,4,6-trinitro-m-xylene is excluded from oral products under European cosmetic rules and is subject to maximum concentrations of 1.0% in fine fragrance, 0.4% in eau de toilette, and 0.03% in other cosmetic products.
5-t-butyl-2,4,6-trinitro-m-xylene historically served as an odorant in incense sticks and related fragranced combustible materials.
5-t-butyl-2,4,6-trinitro-m-xylene contributed a heavy musk character capable of complementing resinous, woody, spicy, and balsamic odors.
5-t-butyl-2,4,6-trinitro-m-xylene supported persistence of the unburned fragrance composition during product storage.
5-t-butyl-2,4,6-trinitro-m-xylene requires particular caution in heated or combustible products because it is classified as an explosive substance and a flammable solid.
5-t-butyl-2,4,6-trinitro-m-xylene historically functioned in non-cosmetic air-care and room-fragrance compositions where such use was legally permitted.
5-t-butyl-2,4,6-trinitro-m-xylene offered a persistent musk background in solid, porous, absorbent, or solvent-based fragrance matrices.
5-t-butyl-2,4,6-trinitro-m-xylene helped extend perceived fragrance duration because its vapor pressure is extremely low at room temperature.
5-t-butyl-2,4,6-trinitro-m-xylene is unsuitable for uncontrolled consumer reformulation because environmental, fire, explosive, and chronic-health hazards require specialist assessment.
5-t-butyl-2,4,6-trinitro-m-xylene serves as an analytical reference material for gas-chromatographic determination of nitro musks.
5-t-butyl-2,4,6-trinitro-m-xylene supports calibration of electron-capture, nitrogen-selective, and mass-spectrometric detection methods.
5-t-butyl-2,4,6-trinitro-m-xylene enables laboratories to quantify trace residues in fragrances, detergents, cosmetics, wastewater, sediments, and biological materials.
5-t-butyl-2,4,6-trinitro-m-xylene requires accurately characterized assay and impurity information when used for quantitative regulatory or environmental analysis.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a reference compound for infrared, ultraviolet, nuclear-magnetic-resonance, and electron-ionization mass spectroscopy.
5-t-butyl-2,4,6-trinitro-m-xylene provides established structural and fragmentation information for confirming the identity of unknown nitroaromatic peaks.
5-t-butyl-2,4,6-trinitro-m-xylene supports differentiation from musk ketone, musk ambrette, musk moskene, and amino-reduction products.
5-t-butyl-2,4,6-trinitro-m-xylene enables orthogonal confirmation when low-level findings have regulatory, forensic, or environmental significance.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a target analyte in wastewater-treatment monitoring.
5-t-butyl-2,4,6-trinitro-m-xylene supports measurement of influent concentrations, treatment removal, sludge partitioning, effluent release, and formation of amino metabolites.
5-t-butyl-2,4,6-trinitro-m-xylene enables comparison of biological treatment, adsorption, oxidation, membrane separation, and advanced treatment processes.
5-t-butyl-2,4,6-trinitro-m-xylene requires analysis of both the parent compound and reduced metabolites because transformation can be an important treatment pathway.
5-t-butyl-2,4,6-trinitro-m-xylene functions as an environmental reference substance in freshwater, estuarine, coastal, sediment, and biota studies.
5-t-butyl-2,4,6-trinitro-m-xylene supports assessment of long-range persistence, partitioning into organic matter, sediment accumulation, and biological uptake.
5-t-butyl-2,4,6-trinitro-m-xylene enables researchers to compare nitro musks with polycyclic and macrocyclic fragrance compounds.
5-t-butyl-2,4,6-trinitro-m-xylene is particularly relevant to environmental research because it is formally identified in Europe as very persistent and very bioaccumulative.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a biomonitoring reference for studies involving blood, adipose tissue, breast milk, fish, shellfish, and other lipid-rich matrices.
5-t-butyl-2,4,6-trinitro-m-xylene supports investigation of dermal uptake, ingestion, distribution into body lipids, metabolism, and slow elimination.
5-t-butyl-2,4,6-trinitro-m-xylene enables measurement of historical exposure trends following reductions in commercial use.
5-t-butyl-2,4,6-trinitro-m-xylene requires sensitive contamination-controlled methods because trace background contamination can interfere with biological analysis.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a parent standard for determining 2-amino and 4-amino musk-xylene transformation products.
5-t-butyl-2,4,6-trinitro-m-xylene supports studies of microbial, mammalian, aquatic, and wastewater-associated nitro-group reduction.
5-t-butyl-2,4,6-trinitro-m-xylene enables laboratories to establish mass balances between the parent fragrance and its partially reduced metabolites.
5-t-butyl-2,4,6-trinitro-m-xylene contributes to research on whether transformation products differ from the parent compound in mobility, protein binding, persistence, and toxicity.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a controlled toxicology reference in studies of liver effects, enzyme induction, metabolism, and chronic exposure.
5-t-butyl-2,4,6-trinitro-m-xylene supports investigation of cytochrome-P450 induction and nitroreduction pathways.
5-t-butyl-2,4,6-trinitro-m-xylene enables comparison between negative short-term genotoxicity findings and tumor findings reported in long-duration animal studies.
5-t-butyl-2,4,6-trinitro-m-xylene requires strict laboratory containment because European harmonized classification identifies it as a suspected carcinogen.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a reference material in skin-contact and photoreactivity studies involving nitro musk fragrances.
5-t-butyl-2,4,6-trinitro-m-xylene supports comparison of sensitization and photopatch responses with structurally related aromatic musk compounds.
5-t-butyl-2,4,6-trinitro-m-xylene enables assessment of how ultraviolet exposure and nitroaromatic structure influence dermal reactions.
5-t-butyl-2,4,6-trinitro-m-xylene should be handled as a hazardous research substance rather than as a routine sensory-evaluation material.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a benchmark substance in bioaccumulation-method development.
5-t-butyl-2,4,6-trinitro-m-xylene supports validation of dietary-depuration studies, passive-sampling methods, lipid-normalized analysis, and internal benchmarking.
5-t-butyl-2,4,6-trinitro-m-xylene enables comparison of measured elimination behavior with partition-coefficient-based predictions.
5-t-butyl-2,4,6-trinitro-m-xylene provides a challenging reference because metabolism, slow elimination, hydrophobicity, and tissue distribution all affect observed accumulation.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a target compound in ecological-effect studies involving aquatic organisms.
5-t-butyl-2,4,6-trinitro-m-xylene supports investigation of developmental effects, transporter interactions, metabolic responses, and tissue accumulation.
5-t-butyl-2,4,6-trinitro-m-xylene enables comparison between parent nitro musks, amino metabolites, and newer fragrance alternatives.
5-t-butyl-2,4,6-trinitro-m-xylene requires prevention of environmental release because European classification includes both acute and chronic aquatic hazard categories.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a regulatory reference for verifying compliance with European cosmetic concentration limits.
5-t-butyl-2,4,6-trinitro-m-xylene supports testing of fine fragrances, toilet waters, cosmetics, toiletries, and oral-product formulations.
5-t-butyl-2,4,6-trinitro-m-xylene enables laboratories to identify undeclared use, cross-contamination, or non-compliant concentration levels.
5-t-butyl-2,4,6-trinitro-m-xylene requires analytical results to be interpreted alongside REACH authorisation, cosmetic, transport, and national chemical requirements.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a reference substance for REACH authorisation and supply-chain compliance.
5-t-butyl-2,4,6-trinitro-m-xylene supports verification of whether an industrial use falls within an applicable authorisation, exemption, or legal limitation.
5-t-butyl-2,4,6-trinitro-m-xylene enables assessment of residual concentrations in materials, process equipment, waste, and imported products.
5-t-butyl-2,4,6-trinitro-m-xylene has been subject to a European REACH sunset date of August 21, 2014 because of its very persistent and very bioaccumulative properties.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a quality-control standard when examining impurities in other nitro musk materials.
5-t-butyl-2,4,6-trinitro-m-xylene supports verification that another fragrance intermediate or finished musk contains no prohibited or specification-limited musk-xylene impurity.
5-t-butyl-2,4,6-trinitro-m-xylene enables chromatographic resolution studies involving closely related nitroaromatic odorants.
5-t-butyl-2,4,6-trinitro-m-xylene requires low detection limits because impurity specifications may be substantially below historical fragrance-use concentrations.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a historical process-control reference for nitration-derived nitro musk manufacture.
5-t-butyl-2,4,6-trinitro-m-xylene supports characterization of nitration completeness, residual hydrocarbon precursor, acidic contamination, and partially nitrated by-products.
5-t-butyl-2,4,6-trinitro-m-xylene enables evaluation of crystallization, washing, drying, and recrystallization performance without providing a basis for uncontrolled synthesis.
5-t-butyl-2,4,6-trinitro-m-xylene production or purification requires dedicated energetic-material expertise because heat, friction, impact, and contamination can trigger dangerous decomposition.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a reference compound in forensic identification of unknown nitroaromatic solids.
5-t-butyl-2,4,6-trinitro-m-xylene supports comparison of chromatographic retention, melting behavior, infrared bands, and mass-spectral fragmentation.
5-t-butyl-2,4,6-trinitro-m-xylene enables differentiation between fragrance-related nitro musks and unrelated energetic nitroaromatic compounds.
5-t-butyl-2,4,6-trinitro-m-xylene requires sample handling to follow explosive-material protocols until identity, purity, stability, and contamination are established.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a process-safety reference for studying self-reactive and energetic aromatic solids.
5-t-butyl-2,4,6-trinitro-m-xylene supports evaluation of decomposition onset, heat release, pressure generation, dust behavior, friction sensitivity, and contamination response.
5-t-butyl-2,4,6-trinitro-m-xylene enables development of safe storage, emergency cooling, segregation, packaging, and transport procedures.
5-t-butyl-2,4,6-trinitro-m-xylene should be tested only in specialized facilities using minimum practical quantities and remote protective controls.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a target analyte during decontamination and equipment-cleaning validation.
5-t-butyl-2,4,6-trinitro-m-xylene supports verification that mixers, filters, dryers, storage vessels, ventilation systems, and sampling equipment no longer retain hazardous residues.
5-t-butyl-2,4,6-trinitro-m-xylene enables assessment of cross-contamination risks in facilities transitioning away from legacy nitro musk materials.
5-t-butyl-2,4,6-trinitro-m-xylene requires recovered residues to be treated as hazardous self-reactive waste rather than ordinary fragrance waste.
5-t-butyl-2,4,6-trinitro-m-xylene functions as a target compound in hazardous-waste treatment studies.
5-t-butyl-2,4,6-trinitro-m-xylene supports comparison of controlled chemical reduction, thermal destruction, adsorption, and specialist incineration methods.
5-t-butyl-2,4,6-trinitro-m-xylene enables verification that treatment removes both the parent compound and environmentally relevant transformation products.
5-t-butyl-2,4,6-trinitro-m-xylene requires waste procedures that prevent heat accumulation, friction, confinement, mixing with incompatible materials, and environmental discharge.
5-t-butyl-2,4,6-trinitro-m-xylene serves as a regulatory training example illustrating the interaction of fragrance, cosmetic, chemical, environmental, and transport rules.
5-t-butyl-2,4,6-trinitro-m-xylene demonstrates that a cosmetic concentration entry does not remove separate obligations under REACH authorisation or dangerous-goods legislation.
5-t-butyl-2,4,6-trinitro-m-xylene supports instruction in hazard classification, candidate-list duties, authorisation deadlines, transport documentation, and analytical verification.
5-t-butyl-2,4,6-trinitro-m-xylene requires all intended uses to be checked against the latest rules of the country in which manufacture, formulation, transport, or sale occurs.
DESCRIPTION
5-t-butyl-2,4,6-trinitro-m-xylene is a nitro musk whose systematic structure consists of a tert-butyl group, two methyl groups, and three nitro groups attached to one benzene ring.
5-t-butyl-2,4,6-trinitro-m-xylene is identified by CAS Number 81-15-2 and EC Number 201-329-4.
5-t-butyl-2,4,6-trinitro-m-xylene has the molecular formula C₁₂H₁₅N₃O₆ and a molecular weight of approximately 297.26 g/mol.
5-t-butyl-2,4,6-trinitro-m-xylene contains no naturally derived musk material and is an entirely synthetic aromatic compound.
5-t-butyl-2,4,6-trinitro-m-xylene normally appears as white, pale-yellow, or yellow crystalline plates, needles, or powder with a strong musky odor.
5-t-butyl-2,4,6-trinitro-m-xylene has a reported melting point near 110°C and a reported boiling region above 200°C, although decomposition hazards limit the practical significance of ordinary boiling data.
5-t-butyl-2,4,6-trinitro-m-xylene is virtually insoluble in water but soluble in selected organic solvents such as ethanol and diethyl ether.
5-t-butyl-2,4,6-trinitro-m-xylene has extremely low volatility, with historical vapor-pressure data below approximately 0.13 Pa at 20°C.
5-t-butyl-2,4,6-trinitro-m-xylene was historically manufactured through controlled nitration of tert-butyl-meta-xylene in dedicated chemical equipment.
5-t-butyl-2,4,6-trinitro-m-xylene crude material was isolated by controlled crystallization and then washed and purified to remove acidity and incompletely nitrated impurities.
5-t-butyl-2,4,6-trinitro-m-xylene manufacturing and purification present serious energetic hazards and should not be attempted outside specialist industrial facilities.
5-t-butyl-2,4,6-trinitro-m-xylene quality control can include appearance, odor, assay, melting range, acidity, residual precursor, related nitro compounds, moisture, and chromatographic purity.
5-t-butyl-2,4,6-trinitro-m-xylene is classified in the European Union as an explosive Category 1.1 substance, a suspected carcinogen, and a substance very toxic to aquatic life with long-lasting effects.
5-t-butyl-2,4,6-trinitro-m-xylene is listed under REACH Annex XIV because it is very persistent and very bioaccumulative.
5-t-butyl-2,4,6-trinitro-m-xylene may undergo dangerous self-decomposition when exposed to heat, friction, impact, fire, or incompatible chemical contamination.
5-t-butyl-2,4,6-trinitro-m-xylene must therefore be handled as a self-reactive energetic material rather than as an ordinary solid fragrance ingredient.
PROPERTIES
Chemical Name: 5-t-butyl-2,4,6-trinitro-m-xylene
Common Name: Musk xylene
Alternative Common Name: Musk xylol
Preferred IUPAC Name: 5-tert-Butyl-2,4,6-trinitro-meta-xylene
Systematic Name: 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
Registry Name: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
CAS Number: 81-15-2
EC Number: 201-329-4
EU Index Number: 609-068-00-1
PubChem CID: 62329
EPA DSSTox Identifier: DTXSID1021405
NSC Number: 59844
UN Number: 2956
Molecular Formula: C₁₂H₁₅N₃O₆
Molecular Weight: 297.26 g/mol
Exact Molecular Weight: Approximately 297.0961 Da
InChIKey: XMWRWTSZNLOZFN-UHFFFAOYSA-N
Chemical Family: Nitro musks
Chemical Classification: Trinitro-substituted aromatic hydrocarbon
Functional Groups: Three aromatic nitro groups
Alkyl Substituents: One tert-butyl group and two methyl groups
Physical State: Crystalline solid
Appearance: White to yellow crystals, plates, needles, or powder
Odor: Strong, sweet, persistent musk-like odor
Melting Point: Approximately 110°C
Reported Boiling Region: Greater than approximately 200°C
Thermal Behavior: Dangerous decomposition may occur before useful atmospheric boiling
Vapor Pressure at 20°C: Less than approximately 0.13 Pa
Volatility: Extremely low under ordinary ambient conditions
Water Solubility: Approximately 0.15 mg/L or practically insoluble
Organic-Solvent Solubility: Soluble in selected alcohols, ethers, aromatic solvents, and fragrance-compatible organic media
Reported Log Pow: Approximately 5.20
Hydrogen-Bond Donors: 0
Hydrogen-Bond Acceptors: 6
Natural Occurrence: Not known to occur naturally
Historical Primary Function: Synthetic musk fragrance and fixative
Current Primary Functions: Analytical reference, environmental standard, regulatory standard, toxicology reference, and controlled research substance
Historical Product Applications: Fine fragrance, toilet water, soap, detergent, fabric care, personal care, and incense
Historical Production Route: Controlled nitration of tert-butyl-meta-xylene
Important Process Impurities: Residual tert-butyl-meta-xylene, incompletely nitrated derivatives, acidic residues, moisture, and related nitro compounds
EU Harmonized Explosive Classification: Explosive Category 1.1
EU Harmonized Carcinogenicity Classification: Carcinogenicity Category 2
EU Aquatic Classification: Aquatic Acute Category 1 and Aquatic Chronic Category 1
REACH Candidate-List Inclusion Date: October 28, 2008
REACH Candidate-List Basis: Very persistent and very bioaccumulative
REACH Annex XIV Entry Number: 1
REACH Latest Application Date: February 21, 2013
REACH Sunset Date: August 21, 2014
REACH Exempted Uses in Annex XIV Entry: None listed
EU Cosmetic Field of Application: Cosmetic products other than oral products
EU Maximum Concentration in Fine Fragrance: 1.0%
EU Maximum Concentration in Eau de Toilette: 0.4%
EU Maximum Concentration in Other Cosmetic Products: 0.03%
IARC 1996 Evaluation: Not classifiable as to carcinogenicity to humans, Group 3
IARC Evidence in Humans: Inadequate in the cited evaluation
IARC Evidence in Experimental Animals: Limited in the cited evaluation
Transport Proper Shipping Name: 5-tert-Butyl-2,4,6-trinitro-m-xylene or Musk xylene
Transport Class: 4.1
Transport Classification Code: SR1
Transport Packing Group: III
ADR Packing Instruction: P409
ADR Limited Quantity: 5 kg
Primary Transport Hazard: Flammable or self-reactive solid
Reactivity Hazards: Heat, fire, friction, impact, confinement, chemical contamination, and incompatible materials
Oxidizing Character: Strong oxidizing behavior is reported
Combustibility: Flammable solid
Dust Hazard: Dust may create inhalation, fire, or explosive-mixture concerns
Skin Hazard: Contact may cause irritation
Eye Hazard: Contact may cause irritation or injury
Respiratory Hazard: Dust and decomposition products may cause severe irritation or injury
Ingestion Hazard: May be toxic if swallowed
Chronic Health Concern: Suspected carcinogenicity
Environmental Persistence: Very persistent
Bioaccumulation Potential: Very bioaccumulative
Aquatic Hazard: Very toxic to aquatic life with long-lasting effects
Important Metabolic Pathway: Reduction of one or more nitro groups to amino metabolites
Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, smoke, and toxic nitroaromatic fumes
Recommended Storage: Cool, shaded, dry, secure, segregated, and well-ventilated storage
Sunlight Precaution: Protect from direct sunlight
Heat Precaution: Keep away from heat, sparks, flames, and hot surfaces
Mechanical Precaution: Protect from friction, impact, grinding, and rough handling
Environmental Precaution: Prevent release to drains, wastewater, soil, sediments, groundwater, and surface water
Quality-Control Parameters: Appearance, assay, melting range, moisture, acidity, residual precursor, related nitro compounds, color, and chromatographic purity
Current Data Requirement: Confirm legal use, hazard classification, packaging, transport conditions, environmental obligations, and shelf life from current jurisdiction-specific documentation.
FIRST AID
Inhalation:
Move the affected person immediately to fresh air.
Keep the person at rest in a position comfortable for breathing.
Avoid further exposure to 5-t-butyl-2,4,6-trinitro-m-xylene dust, smoke, vapor, or thermal-decomposition gases.
Provide oxygen or assisted breathing only through trained personnel using appropriate protective equipment.
Obtain immediate medical attention after substantial exposure or if coughing, dizziness, breathing difficulty, weakness, nausea, or unusual symptoms develop.
Skin Contact:
Remove contaminated clothing, footwear, watches, and accessories carefully.
Brush away loose dry material gently without generating airborne dust or friction.
Wash the affected skin thoroughly with soap and plenty of water.
Do not rub contaminated skin aggressively because mechanical friction should be minimized.
Obtain medical attention if redness, pain, irritation, rash, blistering, or other symptoms develop.
Isolate contaminated clothing because retained material can present an additional fire or reactivity hazard.
Eye Contact:
Rinse the eyes immediately with plenty of clean, gently flowing water.
Hold the eyelids open and move the eyes in all directions during irrigation.
Remove contact lenses when present and easy to do, then continue rinsing.
Continue irrigation for at least 15 to 20 minutes.
Obtain prompt medical attention because particulate material and decomposition products can cause significant irritation or injury.
Ingestion:
Rinse the mouth carefully with water.
Do not induce vomiting.
Never give anything by mouth to an unconscious, drowsy, or convulsing person.
Keep the affected person at rest.
Obtain immediate medical attention because 5-t-butyl-2,4,6-trinitro-m-xylene may be toxic if swallowed.
Provide the current Safety Data Sheet and product identity to medical personnel.
Note to Physicians:
No substance-specific antidote should be assumed.
Provide supportive care and treat according to the patient’s symptoms and clinical condition.
Assess respiratory, neurological, gastrointestinal, hepatic, renal, hematological, dermal, and ocular effects following substantial exposure.
Consider possible delayed effects and exposure to toxic nitrogen-containing decomposition products when fire or heating has occurred.
Use current poison-center guidance and concentration-specific safety documentation as the primary medical references.
HANDLING AND STORAGE
Handling:
Handle 5-t-butyl-2,4,6-trinitro-m-xylene only under procedures developed for self-reactive, explosive, and nitroaromatic solids.
Review current technical, regulatory, transport, and safety documentation before opening, sampling, weighing, transferring, or analyzing the material.
Use the smallest practical quantity for laboratory or analytical work.
Avoid all unnecessary contact with the skin, eyes, and clothing.
Do not breathe dust, smoke, vapor, or thermal-decomposition fumes.
Use closed or remotely operated handling systems wherever reasonably practicable.
Avoid grinding, crushing, scraping, drilling, milling, or compacting the material unless a specialist energetic-material assessment specifically permits the operation.
Prevent shock, impact, friction, static discharge, and localized heating.
Use clean, non-sparking tools and chemically compatible equipment.
Do not use equipment contaminated with acids, bases, oxidants, reducing agents, metals, combustible residues, or unknown chemicals.
Keep 5-t-butyl-2,4,6-trinitro-m-xylene away from open flames, sparks, hot surfaces, welding, and smoking.
Do not expose containers to direct sunlight.
Prevent uncontrolled dust formation during charging, transfer, sampling, and cleaning.
Ground and bond conductive equipment where electrostatic hazards have been identified.
Do not return sampled or removed material to the original container.
Wash the hands, face, and exposed skin thoroughly after handling.
Do not eat, drink, or smoke in areas where the material is handled.
Keep contaminated work clothing separate from personal clothing.
Ventilation:
Provide effective general ventilation and local exhaust ventilation.
Use enclosed weighing, transfer, sampling, and analytical systems whenever possible.
Position extraction close to points where dust could be generated.
Use ventilation and dust-collection equipment designed for hazardous energetic particulate materials.
Prevent accumulation of dust within ducts, filters, fans, ledges, and enclosed equipment.
Do not use ordinary vacuum cleaners or collection systems that can generate sparks, friction, or unsafe confinement.
Use remotely located or protected collection equipment where required by the hazard assessment.
Do not rely on the musky odor to determine whether exposure is adequately controlled.
Use suitable particulate respiratory protection only as a supplement to effective containment and ventilation.
Use positive-pressure self-contained breathing apparatus for fires, major spills, unknown concentrations, or emergency entry.
Inspect ventilation, grounding, dust collection, alarms, and isolation systems regularly.
Storage:
Store 5-t-butyl-2,4,6-trinitro-m-xylene in approved containers intended for the actual transport and hazard classification.
Keep containers tightly secured while avoiding any unapproved condition that could dangerously confine decomposition gases.
Store the material in a cool, dry, shaded, secure, and well-ventilated location.
Protect containers from direct sunlight, radiant heat, flames, sparks, impact, friction, and physical damage.
Maintain separation from combustible materials, reducing agents, reactive metals, strong acids, strong bases, oxidizing chemicals, and incompatible waste.
Do not store the material near ordinary fragrances, food, feed, pharmaceuticals, cosmetics, or general laboratory chemicals.
Use only packaging and liners verified as compatible with energetic nitroaromatic solids.
Maintain appropriate quantity limits and separation distances.
Provide temperature monitoring where required by the storage risk assessment.
Keep storage areas free from unnecessary combustible construction materials and accumulated dust.
Prevent water, dirt, rust, metal particles, cleaning agents, and process residues from entering containers.
Reseal partially used containers promptly using the approved closure procedure.
Use first-in, first-out stock rotation within the validated storage period.
Inspect containers regularly for discoloration, odor change, swelling, leakage, crystallization changes, damaged closures, or elevated temperature.
Isolate suspicious containers and obtain specialist energetic-material advice without moving them unnecessarily.
Maintain accurate inventory, location, lot, opening-date, inspection, and disposal records.
Spill and Leak Procedures:
Evacuate the immediate area and restrict access to trained emergency personnel.
Eliminate flames, sparks, hot surfaces, electrical ignition sources, and unnecessary movement.
Do not touch, walk through, scrape, sweep, or compress spilled material.
Establish an isolation distance appropriate to the quantity and emergency conditions.
Wear positive-pressure self-contained breathing apparatus and suitable chemical protective clothing for significant releases.
Avoid creating dust or friction during recovery.
Use clean, non-sparking tools only when recovery has been approved by a qualified emergency specialist.
Collect a small spill with inert, damp, noncombustible material using a low-friction method.
Do not use cellulose-based, paper-based, sawdust, cloth, or expanded-polymer absorbents.
Place recovered material into approved, loosely covered compatible containers when directed by the emergency procedure.
Do not place contaminated material in ordinary sealed waste drums.
Keep recovered residues cool, segregated, and under observation.
Prevent entry into waterways, drains, sewers, basements, pits, soil, or confined spaces.
Do not attempt uncontrolled neutralization, burning, dissolution, or chemical destruction at the spill location.
Arrange disposal through an authorized energetic-chemical waste operation.
Report environmental and transport incidents as required by applicable regulations.
Handling Precautions:
Wear chemical-resistant gloves selected from documented compatibility information.
Use tightly fitting chemical goggles.
Wear a face shield in addition to goggles where dust projection or contamination is reasonably foreseeable.
Use antistatic protective clothing and footwear appropriate to energetic-material operations.
Provide accessible eyewash and emergency-shower equipment outside the immediate high-hazard handling zone.
Inspect tools, containers, closures, grounding connections, ventilation systems, and protective equipment before use.
Remove watches, jewelry, and other objects capable of creating friction, impact, or sparks where required by the operating procedure.
Do not use steel tools or unapproved metal implements.
Do not handle damaged, contaminated, heated, or discolored material without specialist assessment.
Avoid unnecessary movement of containers.
Never subject the material to flame tests, casual heating, impact tests, or improvised reactivity testing.
Use blast shielding, remote manipulation, and restricted-access controls where required.
Prevent cross-contamination with ordinary chemical or fragrance-production equipment.
Keep emergency firefighting and isolation arrangements immediately available.
Review current Safety Data Sheets, explosive-material controls, authorisation obligations, transport rules, environmental requirements, and waste procedures before every operation.
