Material Safety Data Sheet: (S)-T-Butylamino-1,2-Propanediol

Identification

Product Name: (S)-T-Butylamino-1,2-Propanediol
Synonyms: (S)-2-Amino-1,2-propanediol, tert-butyl derivative
CAS Number: 957-68-6
Molecular Formula: C7H17NO2
Molecular Weight: 147.22 g/mol
Manufacturer: Sourcing information available upon request; company contact detailed on packaging and commercial invoice
Recommended Use: Laboratory chemical, pharmaceutical intermediate
Emergency Phone Number: Found on supplier package label and safety documentation

Hazard Identification

GHS Classification: Irritant (Skin, Eyes), Specific Target Organ Toxicity – Single Exposure
Label Elements: Pictograms for irritant and exclamation mark
Signal Word: Warning
Hazard Statements: May cause skin and eye irritation, may result in respiratory discomfort if inhaled
Precautionary Statements: Avoid contact with skin and eyes, do not breathe dust or vapor, use only with adequate ventilation, wash hands thoroughly after handling
Other Hazards: Not flammable; combustion produces toxic fumes including CO and NOx; not classified as carcinogen or mutagen as per available data

Composition / Information on Ingredients

Chemical Name: (S)-T-Butylamino-1,2-Propanediol
CAS Number: 957-68-6
Concentration: >98% pure by HPLC
Impurities: Trace alcohols and salt residues from synthesis (below 0.5% total)
Additives: None declared or found as stabilizers or preservatives
Mixture or Substance: Substance

First Aid Measures

General Advice: Move affected person from exposure; remove contaminated clothing.
Inhalation: Move to fresh air, keep person warm and still; if breathing becomes difficult call medical help.
Skin Contact: Wash thoroughly for at least 15 minutes with soap and water; seek medical attention for continuing irritation.
Eye Contact: Rinse with plenty of water for at least 15 minutes, lifting eyelids; get medical assessment if irritation continues.
Ingestion: Rinse mouth, do not induce vomiting; call toxicology helpline or doctor.
Symptoms: May include burning sensation, redness, coughing, sore throat, or headache.
Recommendations to Physicians: Symptomatic treatment, monitor respiratory and cardiovascular status, support vital functions.

Fire-Fighting Measures

Suitable Extinguishing Media: CO2, dry chemical, foam, water spray
Specific Hazards from Fire: Heating may generate hazardous vapors, including carbon monoxide and nitrogen oxides
Protective Equipment: Firefighters need self-contained breathing apparatus and chemically resistant clothing
Precautions: Avoid inhalation of combustion gases, evacuate area if necessary
Hazardous Combustion Products: Combustion releases carbon-containing and nitrogen-containing toxic fumes
Other Comments: Cool closed containers with water spray; prevent run-off to surface water or drainage system

Accidental Release Measures

Personal Precautions: Avoid inhaling dust; wear chemically resistant gloves, protective clothing, safety goggles
Environmental Precautions: Prevent further leakage if safe; do not flush to sewer or allow entry to waterways
Containment Methods: Use inert absorbent material (like sand or vermiculite); collect and place in labeled hazardous waste containers
Cleanup Procedures: Sweep up carefully, minimizing dust; ventilate area after cleanup; decontaminate with detergent and water
Decontamination: Use water and mild detergent on affected surfaces; avoid strong oxidizing cleaning agents

Handling and Storage

Handling: Use with local exhaust, avoid aerosols, do not eat, drink or smoke nearby
Hygiene Measures: Wash hands before breaks, remove contaminated clothing
Technical Measures: Work in well-ventilated chemical fume hood
Storage Conditions: Store in tightly sealed original container, cool, dry, well-ventilated area away from sunlight and moisture
Incompatible Materials: Strong oxidizers, strong acids, reducing agents
Storage Temperature: 2-8°C recommended for long-term stability
Packaging: Use shatter-resistant, clearly labeled containers; secondary containment for larger quantities

Exposure Controls and Personal Protection

Engineering Controls: Fume hood, general laboratory ventilation
Personal Protective Equipment: Safety goggles, chemical-resistant gloves (nitrile preferred), standard lab coat
Respiratory Protection: Dust mask (P2 or N95) for powder manipulation, full facepiece respirator if risk of airborne exposure increases
Skin Protection: Chemical-resistant gloves, long sleeves, chemical apron where large quantities handled
Eye/Face Protection: Safety goggles with side shields, face shield for high-risk procedures
Monitoring: No established occupational exposure limits; monitor with caution, using surrogate chemical standards if needed

Physical and Chemical Properties

Appearance: White to off-white crystalline solid or powder
Odor: Slight, amine-like
Melting Point: 84-87°C
Boiling Point: Not determined; decomposes
Solubility: Soluble in water, alcohols, slightly soluble in acetone
pH: Slightly alkaline in solution
Vapor Pressure: Not determined; negligible at room temperature
Partition Coefficient: Log Kow estimated -0.47
Flash Point: Not flammable under standard conditions
Auto-Ignition Temperature: Not established
Evaporation Rate: Not applicable
Decomposition Temperature: Above 120°C
Molecular Formula: C7H17NO2
Molecular Weight: 147.22 g/mol

Stability and Reactivity

Reactivity: Not reactive under recommended transport or storage conditions
Chemical Stability: Stable under recommended temperatures and pressures
Potential Hazards: Under intense heating or in contact with strong oxidants, may decompose to release harmful vapors
Polymerization: Product will not undergo hazardous polymerization
Incompatible Materials: Strong oxidizers, reducing agents, acids
Decomposition Products: Carbon monoxide, nitrogen oxides, ammonia under fire conditions

Toxicological Information

Acute Toxicity: LD50 (oral, rat) estimated >2000 mg/kg
Skin Corrosion/Irritation: May cause irritation on prolonged or repeated contact
Eye Damage/Irritation: Risk of eye irritation, redness, transient discomfort
Sensitization: No known skin or respiratory sensitizing effects from present scientific literature
Carcinogenicity: Not listed as carcinogen by IARC, NTP, or OSHA
Mutagenicity: No evidence from standard in vitro or animal assays
Reproductive Toxicity: Data not sufficient; use caution based on similar compounds
Other Hazards: Prolonged exposure by ingestion or inhalation may cause central nervous system effects such as drowsiness, headache

Ecological Information

Ecotoxicity: No acute aquatic toxicity expected at low concentrations; data limited
Persistence and Degradability: Substance expected to be biodegradable over time, based on structure and functional groups
Bioaccumulative Potential: Low based on calculated Log Kow
Mobility in Soil: High mobility anticipated; soluble in water, likely to leach
Other Adverse Effects: Precautions to limit release to waterways and soil advisable until more data available

Disposal Considerations

Waste Treatment: Dispose following local, national and international legislation for hazardous chemical waste
Methods of Disposal: Chemical waste incineration with flue gas scrubbing preferred; solid residues to licensed chemical landfill
Container Disposal: Empty containers treated as hazardous; triple rinse before recycling or incineration
Precautions: Never discharge into drains or natural watercourses

Transport Information

UN Number: Not regulated for transport
Proper Shipping Name: Not classified as dangerous goods by DOT, IATA, IMDG
Hazard Class: Not applicable
Packing Group: Not applicable
Environmental Hazards: Not designated as marine pollutant
Special Precautions: Protect from physical damage; avoid high temperatures and moisture; emergency information on transport documents

Regulatory Information

TSCA Status: Listed or exempted
SARA Title III Sections 302/304/313: Not subject to reporting
REACH Status (EU): Registration status available on inquiry; not under restriction as of last update
Other US Federal Regulations: Not specifically regulated by OSHA for PEL, TLV or STEL
Canadian DSL/NDSL: Substance status available on request
Other International: Complies with chemical safety and labeling requirements as per GHS recommendations
Labeling Requirements: Ensure all packages carry approved chemical hazard information in English and other required languages