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MSDS Commentary: 3,4-Dimethylhexane

Identification

Chemical Name: 3,4-Dimethylhexane
Synonyms: Diisopropyl ethane, Dimethyloctane isomers
CAS Number: 583-48-2
Recommended Use: Solvent, reference material in laboratories
Chemical Family: Alkanes, saturated hydrocarbons
Physical Appearance: Clear, colorless liquid, mild hydrocarbon odor
Molecular Formula: C8H18

Hazard Identification

GHS Classification: Flammable liquid, Category 2; Aspiration hazard, Category 1
Signal Word: Danger
Hazard Statements: Highly flammable liquid and vapor; May be fatal if swallowed and enters airways; Causes mild skin and eye irritation; May cause drowsiness or dizziness
Precautionary Statements: Keep away from open flames, hot surfaces, and sources of ignition; Use only outdoors or in a well-ventilated area; Avoid inhaling vapors or mists; Wear protective gloves and eye protection
Potential Health Effects: Vapor inhalation can cause drowsiness, dizziness, and headache; Prolonged skin contact dries and irritates; Swallowing may cause aspiration into the lungs with risk of chemical pneumonitis

Composition / Information on Ingredients

Substance: 3,4-Dimethylhexane
Purity: Usually > 95%
Impurities: Trace amounts of other alkanes possible depending on production batch
Molecular Weight: 114.23 g/mol

First Aid Measures

Inhalation: Move to fresh air, keep at rest, get medical attention if symptoms persist
Skin Contact: Remove contaminated clothing, wash exposed area with soap and water; seek medical care if irritation persists
Eye Contact: Rinse cautiously with water for at least fifteen minutes, remove contact lenses if present, continue rinsing, seek attention for discomfort
Ingestion: Do not induce vomiting to prevent aspiration; seek immediate medical attention
Most Important Symptoms: Drowsiness, headache, nausea, respiratory discomfort, chemical pneumonitis in case of aspiration
Notes for Medical Personnel: Monitor airway, breathing, and signs of aspiration; symptomatic treatment

Fire-Fighting Measures

Suitable Extinguishing Media: Foam, dry chemical powder, carbon dioxide, sand
Unsuitable Media: Direct stream of water can spread fire
Specific Hazards: Gives off flammable vapors, vapors can form explosive mixtures with air; combustion releases carbon monoxide, carbon dioxide, and possibly irritating fumes
Protective Equipment: Firefighters should wear self-contained breathing apparatus and full protective clothing
Fire-Fighting Advice: Cool down containers with water from a safe distance, prevent runoff from entering drains or water sources

Accidental Release Measures

Personal Precautions: Evacuate unnecessary personnel from the area; ventilate; eliminate ignition sources; wear appropriate protective equipment
Environmental Precautions: Prevent entry into sewers, groundwater, or open bodies of water; alert authorities if spill threatens environment
Methods for Clean-up: Absorb with inert material such as sand or vermiculite, collect and dispose of in labeled containers; clean spill area thoroughly

Handling and Storage

Handling: Work in well-ventilated spaces; avoid breathing vapors; avoid contact with skin or eyes; static electricity can build up, so bond and ground containers
Storage: Keep containers tightly closed in a cool, dry, and well-ventilated area, away from direct sunlight or sources of heat and ignition; do not store with strong oxidizers or acids
Incompatibilities: Strong oxidizing agents, acidic materials

Exposure Controls and Personal Protection

Engineering Controls: Use local exhaust or general ventilation to keep vapor concentrations below limits
Personal Protection: Nitrile or neoprene gloves; safety goggles or face shield; flame-resistant lab coat
Respiratory Protection: If ventilation inadequate, use NIOSH-approved organic vapor respirator
Hygiene Measures: Wash hands thoroughly after handling; do not eat, drink, or smoke around the chemical; remove contaminated clothing before entering eating areas
Exposure Limits: Not specifically established for 3,4-dimethylhexane, but OSHA and ACGIH recommend 500 ppm for aliphatic hydrocarbons; keep below this threshold

Physical and Chemical Properties

Appearance: Clear, colorless liquid
Odor: Faint, gasoline-like
Boiling Point: Approximately 115-117°C
Melting Point: Not well-documented, estimated below -80°C
Flash Point: Estimated around -9°C (closed cup)
Vapor Pressure: About 35 mmHg at 25°C
Solubility: Insoluble in water, soluble in organic solvents
Density: 0.69-0.7 g/cm³ at 20°C
Auto-Ignition Temperature: Not established, but related hydrocarbons auto-ignite around 220-250°C

Stability and Reactivity

Chemical Stability: Stable under recommended conditions of storage and handling
Reactivity: Not reactive towards most substances under normal conditions
Hazardous Reactions: Reacts with strong oxidizers, leading to risk of fire and explosions
Hazardous Decomposition Products: Burning or decomposition can create carbon monoxide and dioxide, sometimes unburnt hydrocarbons
Conditions to Avoid: Open flames, heat, sparks, prolonged exposure to sunlight

Toxicological Information

Likely Exposure Routes: Inhalation, skin absorption, ingestion
Acute Toxicity: Low acute toxicity by inhalation or skin absorption; ingestion risk mainly lies in aspiration hazard
Skin/Eye Irritation: Mild irritant to skin and eyes
Chronic Effects: Repeated exposure may dry skin, rarely causes central nervous system effects
Carcinogenicity: Not listed by IARC, NTP, or OSHA
Other Information: No evidence of mutagenic or reproductive toxicity in available data on similar chemicals

Ecological Information

Aquatic Toxicity: Toxic to aquatic organisms, may cause long-term effects in aquatic environments
Persistence and Degradability: Expected to persist in environment due to volatility, slow biodegradation compared to shorter alkanes
Bioaccumulation: High log Kow value indicates potential to bioaccumulate
Mobility: Floats on water, mobile in soil due to low water solubility and high volatility
Other Effects: Can smother aquatic life if spilled in waterbodies, vapor produced contributes slightly to ground-level ozone formation

Disposal Considerations

Waste Treatment: Incinerate at licensed facility, using appropriate pollution control technology; do not dump in sewers
Container Disposal: Rinse empty containers, send to recycler or approved waste handler
Regulations: Treat waste as hazardous; comply with local and national disposal regulations
Avoid: Spilling onto soil, water, or into drains; inform proper authorities if significant volume enters environment

Transport Information

DOT: Flammable liquid, UN number matches general hydrocarbons
IMDG/IATA: Classified as flammable liquid; must use proper packaging, labeling, documentation; keep containers upright and sealed during transport
Special Precautions: Keep away from oxidizers; keep away from ignition sources during loading and unloading

Regulatory Information

OSHA: Covered by Hazard Communication Standard
TSCA: Substance is listed in TSCA inventory
SARA: Not subject to section 313 reporting; treated as general hydrocarbon hazard under SARA Title III
Other Regulation: Subject to local fire codes for flammable storage; applicable environmental hazard laws on release