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Product Name: 2-Sec-Butyl-4,6-Dinitrophenyl 3-Methylbut-2-Enoate
Chemical Family: Organic compound, nitroester
Synonyms: None registered by major chemical suppliers to date
CAS Number: Data not widely available in public databases; consult supplier for specifics
Recommended Uses: Research, specialty synthesis, chemical analysis
Supplier Contact: Obtain from SDS label or company website
Emergency Contact: Local poison control or chemical emergency services, regional toxicology unit
GHS Classification: Acute toxicity (oral), Skin sensitizer, Eye irritant, Environmental hazard (aquatic chronic)
Pictograms: Skull and crossbones, exclamation mark, aquatic hazard symbols
Signal Word: Danger
Hazard Statements: Causes skin and serious eye irritation, may cause allergic skin reaction, may be toxic if swallowed or inhaled, long-lasting harmful effects to aquatic life
Precautionary Statements: Wear protective gloves, goggles, use in a well-ventilated area, avoid release to environment, wash skin thoroughly after handling, seek medical advice if exposed or feeling unwell
Routes of Exposure: Inhalation, skin contact, ingestion
Chemical Name: 2-Sec-Butyl-4,6-Dinitrophenyl 3-Methylbut-2-Enoate
Purity: Typically above 95% in laboratory preparations
Impurities: Residual solvents possible, unreacted starting materials such as nitrophenol derivatives, trace acids
Additives: None intentionally present; check batch certificates
Molecular Formula: C15H18N2O6
Molecular Weight: Approximately 322.3 g/mol
Inhalation: Remove individual from exposure area to fresh air; maintain open airway; provide oxygen if breathing becomes difficult; consult doctor
Skin Contact: Promptly wash affected areas using soap and water; remove contaminated clothing; seek medical attention for persistent irritation or visible burns
Eye Contact: Rinse thoroughly with water for at least 15 minutes, holding eyelids apart; remove contact lenses if present; consult ophthalmologist if pain or blurred vision develops
Ingestion: Rinse mouth, avoid induction of vomiting unless recommended by medical professionals or poison control specifically; provide water to drink unless unconscious
Symptoms: Eye and mucous membrane stinging, reddening of the skin, coughing, nausea; in severe cases, signs of chemical burns or systemic toxicity
Suitable Extinguishing Media: Dry chemical, foam, carbon dioxide, sprayed water
Unsuitable Extinguishing Media: Direct high-pressure water streams can spread spill
Hazardous Combustion Products: Oxides of nitrogen, carbon monoxide, carbon dioxide, possible toxic aromatic fumes
Protective Equipment for Firefighters: Complete self-contained breathing apparatus, chemical protective clothing
Additional Advice: Approach from upwind to avoid hazardous gases, use barriers or dikes to prevent firewater runoff
Protective Procedures: Use gloves, goggles, laboratory coat, and suitable respirator if dust or vapors are present
Environmental Precautions: Prevent further spillage or leaks into drains, sewers, or bodies of water
Clean-Up Methods: Collect spillage using appropriate chemical absorbent such as inert clay or vermiculite, scoop into a labeled hazardous waste container, flush area with water after removal if possible with additional absorbent for liquid residues
Ventilation: Increase air movement to clear vapors from confined spaces
Waste Disposal: See disposal considerations; treat waste as hazardous
Safe Handling: Use local exhaust, handle in fume hood or well-ventilated workspace, minimize dust generation, wash hands after use, avoid eating or drinking near work area
Storage Conditions: Store tightly sealed in original container, cool, dry, well-ventilated area away from oxidation sources and direct sunlight
Incompatible Materials: Strong oxidizing agents, acids, alkalis, reducing materials
Storage Temperature: Room temperature (15–25°C), avoid freezing or heating above 40°C
Engineering Controls: Laboratory fume hood, ventilation systems, closed transfer methods
Personal Protection: Chemical splash goggles, face shield, nitrile or neoprene gloves, long-sleeved protective lab coat, disposable apron
Exposure Limits: No specific occupational exposure limits set by OSHA, NIOSH, or ACGIH for this compound, follow general dust/mist guidelines
Respiratory Protection: Dust/mist respirator if airborne concentrations may exceed safe limits, especially during spill or cleanup
Hygiene Recommendations: Change contaminated clothing immediately, launder before use, wash hands and face thoroughly after handling
Appearance: Yellow to orange fine powder or crystals, slight aromatic odor
Melting Point: Estimated 110–130°C (actual values depend on batch testing)
Boiling Point: Not determined due to decomposition
Solubility: Low solubility in water, higher in organic solvents like ethanol and acetone
Vapor Pressure: Not measurable at room temperature
Density: Approx. 1.3–1.4 g/cm³
pH: Not applicable for solid sample
Partition Coefficient (log Kow): Estimated >2, indicating potential for bioaccumulation
Odor Threshold: Not established
Chemical Stability: Stable under ambient laboratory conditions, sensitive to heat and light
Possible Hazardous Reactions: Violent reaction with strong oxidizers, possible decomposition at high temperature or on contact with acids/reducing agents
Incompatible Substances: Oxidants, acids, strong bases
Decomposition Products: Release of toxic and corrosive nitrogen oxides, carbon oxides
Conditions to Avoid: Sources of ignition, open flame, mechanical shock, extended storage at elevated temperature
Acute Toxicity: Swallowing even small amounts may cause systemic symptoms like headache, dizziness, confusion; inhalation produces coughing and sore throat; animal data scarce but related compounds toxic at milligram levels per kilogram
Skin Irritation: Contact causes redness, itching, possible blistering, and chemical burns with prolonged exposure
Eye Effects: Severe burning, tearing, temporary vision disturbance possible
Sensitization: Repeated or excessive skin contact might lead to allergic reactions in sensitive individuals
Chronic Effects: Long exposure could affect the liver, kidneys, or nervous system due to nitroaromatic nature
Carcinogenicity/Mutagenicity: Not classified as carcinogenic by major agencies, DNA damage suggested for related compounds, more studies required
Reproductive Toxicity: No specific studies reported
Toxicity to Aquatic Life: Likely highly toxic to aquatic organisms, evidence from nitroaromatic analogs
Persistence and Degradability: Not readily biodegradable in standard test conditions, expected slow breakdown in soil and water
Bioaccumulative Potential: Partition coefficient suggests potential to bioaccumulate
Mobility in Soil: Low to moderate, substance tends to bind to sediment and organic matter
Other Negative Effects: Substance classified as long-lasting danger to aquatic environments; avoid all releases to open drainage, soil, or groundwater
Waste Treatment Methods: Treat as hazardous organic chemical; collect solids in properly labeled, sealable containers; do not dispose in regular trash or wash down drains
Special Precautions: Consult local, state, and federal hazardous waste handling regulations
Disposal of Packaging: Rinse thoroughly if appropriate, treat rinse as hazardous liquid, deface or destroy packaging to avoid reuse
Recommended Disposal Route: Approved chemical waste incinerator or licensed hazardous waste management facility
UN Number: Consult recent transport guidelines; likely hazardous goods class
UN Shipping Name: Nitroaromatic ester compound, solid, n.o.s.
Transport Hazard Class: 6.1 (toxic substances); may carry additional classifications for environmental hazard
Packing Group: II or III, depends on tested toxicity
Marine Pollutant: Classified as such under IMDG for ocean transport
Special Transport Precautions: Ensure package integrity, follow labeling and document requirements, notify carrier
OSHA: Not included on PEL lists, subject to general chemical safety rules
TSCA: Status requires confirmation from supplier, possible classification as new or research-use chemical
REACH: May require registration for manufacture or large-scale import in EU, likely restricted as non-listed specialty chemical
SARA Title III: Not specifically listed, but some reporting requirements may apply due to nitro group toxicology
International: Transport restrictions in many countries, marine and air carriers require hazard and poison labeling; contact local regulators for regional guidance
Other Data: Consult regional or national chemical inventories for additional regulatory requirements
