Product Name: 3-(1-Cyanoethyl)-Benzoic Acid
Chemical Formula: C10H9NO2
CAS Number: 61617-00-3
Synonyms: 3-(1-Cyanoethyl)benzoic Acid, CEBA
Recommended Use: Chemical intermediate, laboratory reagent
Manufacturer/Distributor: For professional use in research and industry
Emergency Contact: Refer to local, regional or national poison control centers; specialist chemical response units
GHS Classification: Acute Toxicity (Oral, Dermal), Skin Irritation, Eye Damage
Pictograms: Exclamation mark, Corrosive
Signal Word: Warning
Hazard Statements: Harmful if swallowed, causes skin and eye irritation, may cause respiratory irritation
Precautionary Statements: Avoid breathing dust, avoid release to environment, wash hands after handling, use only outdoors or in a well-ventilated area
Potential Health Effects: Eye, skin, and respiratory tract irritation; possible symptoms include coughing, redness, burning sensation
Environmental Hazard: Harmful to aquatic life with long-lasting effects
Chemical Name: 3-(1-Cyanoethyl)-Benzoic Acid
Concentration: ≥ 98% (typical)—can be found as technical or reagent grade
Impurities: Minor impurities may include trace aromatic acids or benzonitrile derivatives; exact composition varies
Other Components: May include moisture content (<1%) or residual solvents from synthesis
Inhalation: Move affected person to fresh air; provide oxygen if breathing is difficult, seek medical attention
Skin Contact: Remove contaminated clothing immediately; wash skin thoroughly with soap and water
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy to do, continue rinsing
Ingestion: Rinse mouth thoroughly; if conscious, drink water but never give anything by mouth to an unconscious person, consult physician
Symptoms/Effects: Burning, irritation, difficulty breathing, potential nausea or headache
Recommendations for Physicians: Symptomatic treatment, monitor for allergic or chemical pneumonitis
Suitable Extinguishing Media: Water spray, dry chemical, foam, carbon dioxide
Unsuitable Media: Strong water streams may disperse dust
Specific Hazards: May emit toxic fumes of carbon oxides or nitrogen oxides under fire conditions
Protective Equipment: Full protective gear and self-contained breathing apparatus
Special Procedures: Cool containers exposed to fire with water spray
Personal Precautions: Ventilate area, avoid dust generation, wear suitable personal protective equipment
Environmental Precautions: Prevent soil, sewer, and water contamination
Containment: Cover spills with inert absorbent, collect in sealed containers for disposal
Cleanup Methods: Sweep or shovel into suitable containers; clean affected area with water and detergent
Handling: Use in well-ventilated spaces, avoid inhaling dust or vapors, minimize skin and eye contact
Safe Storage Conditions: Store in cool, dry, well-ventilated area; keep containers tightly closed and away from incompatible materials (strong oxidizers, acids, bases)
Incompatible Materials: Strong oxidizing agents, strong acids and bases
Specific Handling Requirements: Transfer using grounded equipment; avoid creating dust; label storage clearly
Control Parameters: No established occupational exposure limits; minimize exposure by all routes
Engineering Controls: Use local exhaust or general ventilation systems
Respiratory Protection: In high dust or vapor conditions, use NIOSH/MSHA-approved respirators
Skin Protection: Chemical-resistant gloves, laboratory coats or coveralls
Eye/Face Protection: Chemical safety goggles or face shields
Hygiene Measures: Wash hands before eating, drinking, and after handling; remove contaminated clothing
Appearance: Off-white or light yellow crystalline powder
Odor: Faint, characteristic
Melting Point: Approx. 125-130°C
Boiling Point: Not available; decomposes at elevated temperature
Solubility: Slightly soluble in water, soluble in organic solvents (methanol, ethanol, acetone)
Vapor Pressure: Negligible at room temperature
Density: Roughly 1.20 g/cm³
pH (solution): Slightly acidic in aqueous suspension
Partition Coefficient (log Kow): No data available; likely moderate due to both polar and nonpolar groups
Other Properties: Stable under recommended conditions, may discolor on exposure to light
Chemical Stability: Stable under recommended storage and handling
Incompatible Substances: Strong oxidizers, strong acids, strong bases
Conditions to Avoid: Excessive heat, direct sunlight, moisture, open flames
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, nitrogen oxides
Hazardous Polymerization: Not expected under normal conditions
Acute Toxicity: Harmful if swallowed or inhaled; rat oral LD50 estimated > 300 mg/kg
Skin and Eye Contact: Causes irritation; may cause redness, inflammation, or contact dermatitis
Chronic Effects: Long-term exposure may cause sensitization or aggravated existing skin disorders
Routes of Exposure: Inhalation, skin and eye contact, ingestion
Carcinogenicity: No data supporting carcinogenic potential; not listed by NTP, IARC, or OSHA
Mutagenicity/Teratogenicity: No significant evidence from available studies
Other Effects: May aggravate pre-existing respiratory or skin conditions
Ecotoxicity: May be toxic to aquatic organisms, especially over long periods
Mobility in Soil: Likely moderate, based on physicochemical properties
Persistence and Degradability: Limited biodegradability; persistent in some environments
Bioaccumulative Potential: Possibly moderate due to aromatic and nitrile groups
Other Adverse Effects: Avoid release to natural waters, further monitoring recommended
Waste Treatment Methods: Dispose through licensed hazardous waste contractors; incineration recommended when possible
Container Disposal: Thoroughly clean, deface, and puncture containers before discarding
Precautions: Do not allow entry into drains, water courses, or soil; follow national, regional, and local regulations
UN Number: Not classified as dangerous under most transport regulations
Proper Shipping Name: Not regulated
Transport Hazard Class: No class assigned
Packing Group: None assigned
Marine Pollutant: Not specifically regulated
Special Precautions: Handle with standard chemical shipment procedures, use correctly labeled, sealed containers
TSCA Status: Included in US Toxic Substances Control Act inventory
EU Regulations (REACH): Not specifically listed on Candidate List, but subject to general safety rules
OSHA Status: Considered hazardous chemical, subject to labeling and safety protocols
SARA Title III: Not listed as a reportable substance under extremely hazardous substances
Other National Inventories: Data available upon request for Canada, Australia, Japan, and China
Labeling Requirements: Ensure that containers clearly display hazard symbols and safety precautions
