Material Safety Data Sheet for Methyl 2-Bromohexanoate

Identification

Product Name: Methyl 2-Bromohexanoate
Chemical Formula: C7H13BrO2
Synonyms: 2-Bromohexanoic acid methyl ester, Methyl α-bromohexanoate
CAS Number: 2627-87-2
Recommended Use: Intermediate in organic synthesis, laboratory research, pharmaceutical development
Supplier: Manufacturer or distributor’s address and emergency contact details required for full traceability, fostering accountability in material handling.
Emergency Contact Number: Reference your laboratory's chemical safety plan for local emergency numbers; widely used safety data suppliers list CHEMTREC for U.S. incidents at +1-800-424-9300.

Hazard Identification

GHS Classification: Acute toxicity (oral, dermal, inhalation), skin irritation, serious eye irritation, potential for environmental hazard due to aquatic toxicity
Signal Word: Warning
Hazard Statements: Harmful if swallowed, may cause respiratory irritation, causes skin and eye irritation, hazardous to aquatic environment
Pictograms: Exclamation mark, environment
Precautionary Statements: Avoid breathing vapors, wash thoroughly after handling, do not let run-off enter drains, wear gloves and protective eye/face protection.

Composition / Information on Ingredients

Chemical Identity: Methyl 2-Bromohexanoate
Purity: ≥98% for research or industry grade; impurities can include minor isomers, water, organic solvents from synthesis (e.g. methanol, dichloromethane, residues)
Hazardous Components: None listed above mandatory thresholds except parent compound
Impurities That Contribute to Hazard: Free bromine or under-reacted hexanoic acid, generally below 0.1% but still key for lab-scale risk assessment.

First Aid Measures

Inhalation: Move exposed person to fresh air, keep warm and at rest, seek medical attention if symptoms like coughing, dizziness, or headaches persist
Skin Contact: Remove contaminated clothing, flush affected area with soap and water for a minimum of 15 minutes, seek medical advice for persistent irritation
Eye Contact: Rinse eyes cautiously with water for at least 15 minutes, lifting eyelids occasionally, remove contact lenses if safe, urgent ophthalmologic consultation for persistent symptoms
Ingestion: Clean mouth, rinse, do not induce vomiting, seek medical support immediately, provide SDS information to emergency responders
General Notes: Prepare to offer details on exposure route, nature and duration; provide staff with current first aid training and regular safety briefings.

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, foam, carbon dioxide, water spray for small fires; avoid direct water streams
Specific Hazards: Toxic corrosive fumes containing hydrogen bromide, carbon monoxide, carbon dioxide produced on combustion
Protective Equipment for Firefighters: Self-contained breathing apparatus, full chemical-protection suit, remain upwind to avoid inhalation
Special Procedures: Remove undamaged chemical containers from area if safe to do so, use water spray to cool equipment exposed to fire; be mindful of runoff preventing environmental exposure.

Accidental Release Measures

Personal Precautions: Wear chemical-resistant gloves, goggles, impervious clothing, provide adequate ventilation, evacuate unnecessary personnel
Environmental Precautions: Prevent spillage from entering drains, surface water, or soil, secure spill boundaries with dikes where appropriate
Cleanup Methods: Absorb spill with inert material (vermiculite, sand), use spark-proof tools and equipment, collect in suitable waste containers, decontaminate spill site with soap and water
Reporting: Notify facility safety officer or environmental health and safety; in larger spills or workplace injuries, it is necessary to contact emergency services for assessment and mitigation.

Handling and Storage

Handling: Always use chemical fume hood, wear nitrile gloves and eye/face protection; avoid direct contact, inhalation of vapors or mists
Storage: Keep in tightly sealed, labeled containers, store in cool, dry, well-ventilated area away from incompatible substances like bases, oxidizers, especially strong alkalis or acids
General Advice: Segregate from food and feedstuffs, keep storage area locked for controlled access, maintain up-to-date inventory for compliance
Technical Measures: Install spill containment trays under chemicals, ensure chemical-resistant shelving, set up eyewash bottles and emergency showers within 10 seconds’ access.

Exposure Controls and Personal Protection

Occupational Exposure Limits: No established national limit, but treat as potential irritant, use the lowest possible exposure as a precaution
Engineering Controls: Mechanical exhaust, adequate general ventilation, use closed systems for larger scale operations
Personal Protective Equipment: Chemical safety goggles, face shield for splash risks, acid-resistant gloves, lab coat, chemical-resistant apron
Respiratory Protection: Use particulate respirators (NIOSH N95 or greater) for airborne dusts or vapors
Hygiene Measures: Wash hands before breaks, after handling, no eating, drinking, or smoking in work areas, separate street and work clothing.

Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Faint, characteristic ester smell; sharp in high concentrations
Boiling Point: Range between 110 - 120°C at 13 mmHg closely matches literature
Melting Point: Below room temperature, remains liquid under ordinary storage conditions
Flash Point: Estimated 110°C (230°F), use low flashpoint precautions
Solubility: Insoluble in water, miscible with organic solvents (diethyl ether, chloroform)
Specific Gravity: Typical gravimetric density about 1.2 g/mL at 20°C
Vapor Density: Heavier than air, forms low-lying vapors, which can spread from spill sites
pH: Not measurable in aqueous solution due to low solubility.
Auto-Ignition Temperature: No standardized data published, use static charge controls.
Partition Coefficient (Log Pow): 2.6-3.0 estimated, likely to bioaccumulate if released.

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions; light and air can slowly degrade product
Reactivity: Reacts with strong bases (risk of hydrolysis), oxidizers, and no significant storage incompatibility with most metals
Hazardous Decomposition Products: HBr, carbon monoxide, CO2, possibly methyl bromide if overheated
Polymerization: Not reported to self-polymerize.
Conditions to Avoid: Exposure to strong sunlight or elevated temperatures, open flames, incompatible chemicals in storage or use areas.

Toxicological Information

Acute Toxicity: LD50 (oral, rat) data not fully characterized, but exposure effects include headache, dizziness, nausea, somnolence, mucosal irritation, dermatitis
Routes of Exposure: Ingestion, inhalation, direct skin/eye contact
Skin and Eye Irritation: Definite risk, serious damage to mucous membranes, prolonged or repeated exposure amplifies effects
Sensitization: No reported skin sensitizer effect but data lacking—exercise caution with repeated exposures
Carcinogenicity, Mutagenicity: Not listed as a suspected carcinogen in IARC, ACGIH, NTP sources; long-term mutagenicity or reproductive toxicity remains undocumented.
Chronic Effects: Repeated exposure risks cumulative irritation, possible damage to liver and kidneys per analog studies.

Ecological Information

Aquatic Toxicity: Harmful to aquatic organisms, potential for long-term adverse effects in aquatic environment; brominated esters have proven persistence
Persistence and Degradability: Resistant to microbial degradation, hydrolysis under basic conditions leads to slow breakdown to bromohexanoic acid
Bioaccumulation Potential: Moderate to high; partition coefficient indicates uptake in aquatic species
Mobility in Soil: Low mobility, binds to organic matter, but not excluded from soil leaching under heavy spills
Other Adverse Effects: Brominated organics cause concern for bioaccumulation and toxicity for higher trophic levels.

Disposal Considerations

Waste Treatment Methods: Classify as hazardous waste; incinerate with flue gas scrubbing to destroy brominated organics; never dispose via municipal sewer or surface water
Container Disposal: Triple rinse containers, puncture, and send for chemical drum recycling or authorized landfill with hazardous waste certification
Regulatory Controls: Comply with local, federal regulations for brominated chemical disposal; cross-check EPA RCRA or local equivalents for hazardous waste number, e.g., U-series listing.

Transport Information

UN Number: 2810 (Toxic Liquid, Organic, N.O.S. containing Methyl 2-Bromohexanoate)
Proper Shipping Name: Toxic liquid, organic, n.o.s.
Transport Hazard Class: 6.1 (Toxic substances)
Packing Group: III
Hazard Label: Toxic
Marine Pollutant: Yes—strict shipping document annotation required
Special Transport Precautions: Keep containers upright, well-labeled, and separated from incompatible materials, emergency response guide T-153 for spills.

Regulatory Information

TSCA Inventory: Listed or reportable; check updates from EPA
REACH Registration: Substance status needs confirmation for European handling; annual tonnage thresholds dictate registration requirements
OSHA Hazard Classification: Acute toxicity, irritant
SARA Title III Section 313: Brominated organic chemicals may appear subject to reporting; check for reportable thresholds
WHMIS Classification (Canada): D1B (Toxic), D2B (Irritant)
Other Compliance Cues: Follow local, national, and international regulations; maintain updated SDSs and train staff on both physical and chemical safety handling requirements in any workplace using or storing Methyl 2-Bromohexanoate.