Material Safety Data Sheet: Ethyl 6-Bromohexanoate

Identification

Product Name: Ethyl 6-Bromohexanoate
Synonyms: Hexanoic acid, 6-bromo-, ethyl ester
CAS Number: 4963-74-6
EC Number: 225-624-1
Molecular Formula: C8H15BrO2
Molecular Weight: 223.11 g/mol
Recommended Uses: Chemical synthesis, laboratory reagent
Manufacturer: Specialized chemical supplier
Emergency Phone Contact: Available through chemical producer or regional Poison Control Center
Address: Provided upon request from supplier documentation or purchase order

Hazard Identification

GHS Classification: Eye irritation (Category 2A), Skin irritation (Category 2), Acute toxicity (Category 4, Oral)
Signal Word: Warning
Hazard Statements: Causes skin irritation; causes serious eye irritation; harmful if swallowed
Pictograms: Exclamation mark
Precautionary Statements: Avoid contact with skin and eyes; do not eat, drink, or smoke during use; use protective equipment; wash thoroughly after handling
Routes of Exposure: Inhalation, ingestion, skin and eye contact
Health Hazards: May cause redness, pain, and temporary injury to eyes and skin; possible drowsiness or dizziness by inhalation
Environmental Hazards: Hazardous to aquatic life, may cause long-lasting effects
Other Hazards: Not highly flammable but may yield toxic vapors under heat or fire conditions

Composition / Information on Ingredients

Chemical Name: Ethyl 6-Bromohexanoate
CAS Number: 4963-74-6
Concentration: ≥98% (by purity analysis)
Impurities: Residual solvents and minor related esters (≤2%)
Additives: No added stabilizers or inhibitors
Other Ingredients: None specified

First Aid Measures

Inhalation: Move exposed person to fresh air; seek medical attention if breathing becomes difficult or symptoms persist.
Skin Contact: Remove contaminated clothing immediately; wash skin carefully with soap and water; seek medical advice for persistent irritation.
Eye Contact: Rinse eyes gently with plenty of water for at least 15 minutes; lift eyelids frequently; obtain medical assistance if discomfort continues.
Ingestion: Rinse mouth thoroughly; do not induce vomiting; seek emergency medical attention right away.
Symptoms of Exposure: Redness, irritation, nausea, headache, dizziness or fatigue
Advice for Physicians: Provide symptomatic and supportive treatment; monitor for respiratory or gastrointestinal effects

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical powder, carbon dioxide, foam, water spray (for small fires)
Unsuitable Extinguishing Media: Do not use strong water jets as this may spread fire
Hazardous Combustion Products: Carbon monoxide, carbon dioxide, hydrogen bromide gas, hydrocarbons
Special Protective Equipment for Firefighters: Wear full protective clothing and self-contained breathing apparatus
Specific Hazards: Material may burn and generate toxic fumes; containers could rupture if heated
Firefighting Instructions: Evacuate area, avoid inhalation of combustion gases, cool fire-exposed containers with water mist

Accidental Release Measures

Personal Precautions: Wear chemical splash goggles, gloves, and lab coat; ventilate area
Environmental Precautions: Prevent spills entering drains, surface water, and soil; notify authorities if significant spill occurs
Clean-Up Methods: Absorb with inert materials such as sand or vermiculite, collect in suitable container, wash area with soap and water
Disposal: Seal waste in clearly labeled container, treat as hazardous waste
Decontamination: Avoid vapors; scrub and ventilate spill area following collection
Other Instructions: Remove sources of ignition; use non-sparking tools

Handling and Storage

Handling: Use only in well-ventilated spaces; avoid contact with skin, eyes, and clothing; do not breathe vapors or mist; wash hands after working with substance
Storage Conditions: Keep container tightly closed; store in cool, dry, well-ventilated area; away from direct sunlight and incompatible materials
Incompatible Materials: Strong oxidizers, strong bases, and acids
Safe Transfer: Use mechanical aids or closed systems wherever possible; avoid splashing and static discharge
Special Packaging: Use amber bottles, lined drums, or corrosion-resistant packaging
Other Advice: Label container properly; keep out of reach of children and unauthorized personnel

Exposure Controls and Personal Protection

Engineering Controls: Use fume hood, local exhaust ventilation, or general dilution ventilation
Occupational Exposure Limit: No ACGIH or OSHA exposure limits established
Personal Protection: Chemical-resistant gloves (like nitrile), safety goggles, lab coat; add face shields for splash risk
Respiratory Protection: Use approved respirator for organic vapors if engineering controls insufficient
Hygiene Measures: Remove contaminated clothing promptly; wash hands and face after work
Monitoring: Install vapor detection sensors if used in quantity or enclosed environments

Physical and Chemical Properties

Appearance: Colorless to pale yellow oily liquid
Odor: Faint ester-like odor
Melting Point: -31°C
Boiling Point: 255-258°C at 760 mmHg
Solubility: Slightly soluble in water; miscible with typical organic solvents such as ethanol, diethyl ether
Flash Point: 112°C (closed cup)
Vapor Pressure: 0.05 mmHg at 25°C
Density: 1.273 g/cm³ at 20°C
pH: Not applicable (neutral compound, non-aqueous)
Viscosity: Moderate viscosity for an ester
Partition Coefficient (log Kow): Approximately 2.3
Explosive Properties: Not classified as explosive; vapor may form explosive mixtures with air at high concentrations
Auto-ignition Temperature: No data available

Stability and Reactivity

Stability: Stable under recommended storage conditions
Conditions to Avoid: Heat, flames, sources of ignition, moisture
Materials to Avoid: Strong acids, bases, strong oxidizers
Hazardous Decomposition Products: Hydrogen bromide, carbon monoxide, carbon dioxide, aldehydes, acid vapors
Polymerization: No hazardous polymerization expected
Reactivity: Reacts with strong oxidants or bases, leading to possible decomposition

Toxicological Information

Acute Toxicity: Harmful if ingested (estimated LD50 oral rat 300-2000 mg/kg)
Local Effects: Irritation, redness, dermatitis on repeated contact
Eye Effects: Serious eye irritation, potential corneal injury from concentrated exposure
Respiratory Effects: Vapors may cause mild respiratory tract irritation, coughing
Chronic Effects: No confirmed long-term human toxicity; avoid repeated or prolonged exposure out of precaution
Carcinogenicity: No data indicating carcinogenic risk in humans
Mutagenicity/Genotoxicity: Data not sufficient for classification
Other Information: Not listed by IARC, NTP, OSHA as a suspected carcinogen

Ecological Information

Aquatic Toxicity: Harmful to aquatic organisms; may cause long-term adverse effects in aquatic environment
Persistence and Degradability: Moderately persistent; biodegradable over weeks under aerobic conditions
Bioaccumulation: Log Kow suggests moderate bioaccumulation potential
Mobility in Soil: Expected to have moderate mobility, low volatility from water or soil surfaces
Other Adverse Effects: No known significant effects on ozone layer or global warming
Disposal to Sewers: Discouraged to avoid environmental build-up

Disposal Considerations

Waste Treatment Methods: Use hazardous chemical disposal service; incinerate at approved facility
Disposal Containers: Tightly-sealed, labeled, resistant to corrosive action
Waste Code: U-listed or D-listed waste under RCRA if applicable
Disposal Remarks: Consult national and local regulations before disposal
Contaminated Packaging: Empty containers may retain hazardous residues and should be disposed of as chemical waste
Prohibited Disposal Methods: Do not discharge to drain, surface water, or soil

Transport Information

UN Number: Not classified with a specific UN number for most jurisdictions
Shipping Name: Organic liquid, n.o.s. (Not Otherwise Specified, as per regional rules)
Transport Hazard Class: Not regulated under ADR/RID, IMDG, IATA in small quantities
Packing Group: As per shipper’s determination, typically not falling under Packing Groups I, II, or III
Environmental Hazards: May pose potential risk to aquatic life during transport, spillage should be avoided
Special Precautions for Transport: Ensure containers are upright, well-capped and secured during movement
Labeling: Mark clearly with chemical name and hazard warning according to local shipping regulations

Regulatory Information

Inventory Status: Listed on TSCA (US), EINECS/ELINCS (EU), AICS (Australia), DSL (Canada)
SARA Title III (Sections 311/312): Classified for acute health hazard
RCRA: Product or solutions may qualify as hazardous waste
OSHA Hazard: Classified as hazardous per OSHA Hazard Communication Standard
REACH Status: Pre-registered; not subject to authorization or restriction for small-scale laboratory use
State Regulations: May trigger reporting under state laws, such as California Proposition 65 if impurities present
Other Regulatory Info: Ensure compliance with workplace safety plans, hazard communication standards, national chemical safety regulations