Material Safety Data Sheet: Tert-Butyl Chloroacetate

Identification

Product Name: Tert-Butyl Chloroacetate
Chemical Formula: C6H11ClO2
Chemical Family: Chloroacetates
CAS Number: 107-59-5
Synonyms: Chloroacetic acid tert-butyl ester, Chloroacetic acid 1,1-dimethylethyl ester
Manufacturing Use: Intermediate for organic synthesis, pharmaceutical manufacturing
Contact Information: Emergency: Chemtrec (24 hr) +1 800-424-9300
Recommended Use: Laboratory chemical, research and development settings, chemical production

Hazard Identification

GHS Classification: Acute Toxicity (Oral) Category 3, Skin Irritant Category 2, Eye Irritant Category 2A, Specific Target Organ Toxicity – Single Exposure Category 3 (respiratory system)
Signal Word: Danger
Hazard Statements: Toxic if swallowed, causes skin and eye irritation, may cause respiratory irritation
Pictograms: Skull & Crossbones; Exclamation Mark
Precautionary Statements: Avoid breathing vapors or mists; avoid contact with skin and eyes; wash hands thoroughly after handling; use personal protective equipment as required
Emergency Overview: Colorless liquid with a pungent, suffocating odor that irritates mucous membranes; toxicity concerns from ingestion, inhalation, and direct contact

Composition / Information on Ingredients

Chemical Name: Tert-Butyl Chloroacetate
CAS Number: 107-59-5
Concentration: 97–100%
Impurities: Chloroacetic acid (<1%); Tert-butanol (<1%)
EC Number: 203-512-2
Molecular Weight: 150.61 g/mol

First Aid Measures

Inhalation: Move person to fresh air; keep comfortable for breathing; administer oxygen if breathing difficulty develops; seek medical attention if irritation or symptoms persist
Skin Contact: Remove contaminated clothing immediately; wash skin with plenty of running water and soap for at least twenty minutes; seek medical help for persistent irritation or burns
Eye Contact: Rinse cautiously with water for several minutes, lifting eyelids; remove contact lenses if present and easy to do; continue rinsing; seek medical attention
Ingestion: Rinse mouth thoroughly; do not induce vomiting; never administer anything by mouth to an unconscious person; seek immediate medical attention
Symptoms/Effects: Respiratory tract irritation, coughing, burning sensation, skin and eye redness and pain, headache, dizziness, nausea

Fire-Fighting Measures

Suitable Extinguishing Media: Carbon dioxide, foam, dry chemical, water spray
Specific Hazards: Emits hydrogen chloride, phosgene, and carbon oxides on thermal decomposition; vapors may be heavier than air and spread along ground
Protective Equipment: Self-contained breathing apparatus, full protective firefighting gear
Special Procedures: Cool containers exposed to fire with water spray; use water spray to disperse vapors
Combustion Products: Hydrogen chloride, carbon monoxide, carbon dioxide, low levels of phosgene gas in poorly ventilated settings

Accidental Release Measures

Personal Precautions: Evacuate unnecessary personnel; ventilate area; use appropriate PPE including gloves, goggles, and a respirator
Spill Containment: Stop leak if safe to do so; prevent further leakage or spillage; do not let chemical enter drains
Cleanup Procedure: Absorb spill with inert material (sand, vermiculite); collect in suitable containers for disposal; decontaminate area with dilute sodium bicarbonate
Environmental Precautions: Avoid release to the environment; contain run-off with barriers or absorbents; report release as required

Handling and Storage

Handling: Work in well-ventilated area or fume hood; avoid inhalation of vapors or mists; prevent contact with skin, eyes, and clothing; do not eat, drink, or smoke during use
Storage: Store tightly closed in a cool, dry, well-ventilated place; keep away from strong bases, acids, oxidizers, and moisture; protect from direct sunlight and heat sources; segregate from foodstuffs
Engineering Controls: Use explosion-proof ventilation or fume hoods where vapors may accumulate
Transfer Procedures: Ground and bond containers when transferring liquid

Exposure Controls and Personal Protection

Exposure Limits: No established occupational exposure limits specific to tert-butyl chloroacetate; minimize exposure as for other chloroacetates
Engineering Controls: General and local exhaust ventilation, fume hood for open handling
Personal Protective Equipment (PPE): Chemical-resistant gloves (nitrile or neoprene), safety glasses or goggles, laboratory coat or flame-resistant coveralls, chemical-resistant footwear, face shield for large volume handling, respiratory protection if engineering controls are insufficient
Hygiene Measures: Wash hands after handling; keep work clothing separate; do not wear contaminated clothing home
Environmental Controls: Use spill containment; maintain adequate facilities for eye washing and safety showers

Physical and Chemical Properties

Appearance: Colorless to faint yellow liquid
Odor: Pungent, suffocating
Odor Threshold: Data not available
pH: Not applicable (does not dissolve in water well)
Melting Point: -13°C to -15°C
Boiling Point: 142–145°C
Flash Point: 52°C (closed cup)
Evaporation Rate: Moderate
Flammability: Combustible
Vapor Pressure: 1.1 mmHg at 25°C
Vapor Density: 5.2 (Air = 1)
Solubility in Water: Slightly soluble (hydrolyzes slowly)
Partition Coefficient (log Kow): Estimated 1.2–1.5
Auto-ignition Temperature: Not determined
Decomposition Temperature: Begins above 140°C
Molecular Weight: 150.61 g/mol

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions; hydrolyzes in contact with water
Reactivity: Reacts with strong bases and acids, water (slowly), strong oxidizers
Possibility of Hazardous Reactions: Contact with water forms tert-butanol and chloroacetic acid; violent reaction with sodium, potassium, or other reactive metals
Hazardous Decomposition Products: Hydrogen chloride, phosgene, carbon monoxide, and carbon dioxide
Incompatible Materials: Strong bases, strong acids, amines, oxidants, water, alcohols, moisture

Toxicological Information

Routes of Exposure: Inhalation, skin absorption, ingestion, eye contact
Acute Toxicity: Oral LD50 (rat): estimated 200-250 mg/kg; Skin LD50: data not established; may cause severe irritation and burns
Symptoms: Respiratory tract irritation, coughing, skin blistering, chemical burns, headache, nausea
Chronic Toxicity: Repeated exposure may damage liver and kidneys, cause dermatitis or allergic reactions
Carcinogenicity: No known listing by IARC, NTP, OSHA
Mutagenicity: No reliable data for this compound
Reproductive Effects: No reliable data
Sensitization: May cause allergic skin reactions in sensitive individuals

Ecological Information

Ecotoxicity: Toxic to aquatic organisms; LC50 (fish, 96h): estimated 10–50 mg/L
Persistence and Degradability: Readily hydrolyzes to chloroacetic acid and tert-butanol, both more biodegradable
Bioaccumulative Potential: Low to moderate based on estimated partition coefficient
Mobility in Soil: Moderate (may leach in case of spill); water solubility and mobility increase with hydrolysis
Other Adverse Effects: Hydrolysis product chloroacetic acid is environmentally hazardous; avoid release to waterways or soil

Disposal Considerations

Waste Disposal Methods: Dispose of via licensed chemical waste contractor; incineration preferred; comply with local, state, and federal regulations
Contaminated Packaging: Triple rinse empty containers; offer for recycling or disposal following hazardous waste regulations
Precautions: Do not dispose down the drain or into the environment; consult authorities for permit and protocol requirements

Transport Information

UN Number: UN 3271
UN Proper Shipping Name: Esters, N.O.S. (Tert-Butyl Chloroacetate)
Transport Hazard Class: 6.1 (Toxic substance)
Packing Group: III
Environmental Hazards: Marine pollutant (not designated but hazardous by nature)
Special Precautions: Avoid temperature extremes; secure containers to prevent movement; ensure emergency response equipment is accessible during transport
Transport Regulations: Complies with DOT, IATA, IMDG, and ADR regulations for toxic organic liquids

Regulatory Information

TSCA Status: Listed on the U.S. Toxic Substances Control Act Inventory
EPCRA Section 302/304: Not listed
SARA 313: Not subject to reporting
California Proposition 65: No components listed
OSHA: Considered hazardous; falls under hazardous communication standard
REACH Status (EU): Subject to registration, listed in relevant annexes
Other Regulations: Subject to workplace air monitoring where handled in volume; labeling and handling must reflect acute toxicity classification under GHS