Isobutyl Alcohol, Methyl Propanol, Isobutanol, Isopropyl Carbinol, IBA, 78-83-1

Isobutyl Alcohol, Methyl Propanol, Isobutanol, Isopropyl Carbinol, IBA, 78-83-1

ISOBUTYL ALCOHOL (IBA)

Isobutyl Alcohol / Isobutanol / 2-Methyl-1-propanol / IBA
CAS Number: 78-83-1
EC Number: 201-148-0

1. IDENTIFICATION INFORMATION

2. PHYSICAL PROPERTIES

3. CHEMICAL PROPERTIES

Combustion Reaction:

2 C₄H₁₀O + 12 O₂ → 8 CO₂ + 10 H₂O + Heat

Oxidation Reaction (to Isobutyraldehyde):

(CH₃)₂CH-CH₂OH + [O] → (CH₃)₂CH-CHO + H₂O

Oxidation Reaction (to Isobutyric Acid):

(CH₃)₂CH-CH₂OH + 2 [O] → (CH₃)₂CH-COOH + H₂O

Esterification Reaction (with Acetic Acid - Isobutyl Acetate):

(CH₃)₂CH-CH₂OH + CH₃COOH → (CH₃)₂CH-CH₂OCOCH₃ + H₂O

4. PRODUCTION PROCESS

Reaction Equation (Oxo Process - Most Common):

CH₃-CH=CH₂ (Propylene) + CO + H₂  —[Catalyst]—> (CH₃)₂CH-CHO (Isobutyraldehyde)
(CH₃)₂CH-CHO + H₂  —[Ni Catalyst]—> (CH₃)₂CH-CH₂OH (Isobutanol)

Reaction Equation (Isobutyraldehyde Hydrogenation):

(CH₃)₂CH-CHO + H₂  —[Nickel catalyst]—> (CH₃)₂CH-CH₂OH

5. AVAILABLE FORMS AND SPECIFICATIONS

Typical Specifications (Technical Grade):

6. APPLICATIONS

6.1. Chemical Synthesis and Intermediates – Largest Use

6.2. Solvent Applications

6.3. Coatings and Paints

6.4. Flavor and Fragrance Industry

6.5. Pharmaceutical Industry

6.6. Petroleum and Fuel Additives

6.7. Analytical Chemistry and Laboratory

6.8. Cosmetics and Personal Care

6.9. Agricultural Chemicals

6.10. Other Applications

7. DERIVATIVES AND DOWNSTREAM PRODUCTS

8. QUALITY SPECIFICATIONS (High Purity Grade)

9. SOLVENT PROPERTIES

10. STORAGE AND HANDLING

Handling Notes:

• Use explosion-proof electrical equipment

• Ground containers when transferring to prevent static sparks

• Use only in well-ventilated areas or under local exhaust ventilation

• Avoid breathing vapors (may cause drowsiness and dizziness)

• Keep away from heat, sparks, and open flames

• Do not use aluminum containers (incompatible)

• Use non-sparking tools

11. SAFETY AND HEALTH INFORMATION (GHS CLASSIFICATION)

GHS Classification (Alternative):

12. HAZARD STATEMENTS (H-CODES)

EU Risk Phrases (R-Codes):

13. SAFETY STATEMENTS (P-CODES)

14. TOXICOLOGICAL INFORMATION

Health Effects:

Occupational Exposure Limits:

15. FIRST AID MEASURES

16. FIRE FIGHTING MEASURES

17. ENVIRONMENTAL INFORMATION

18. TRANSPORT INFORMATION

19. OTHER NAMES AND SYNONYMS

Database Identifiers:

20. SUMMARY AND IMPORTANT WARNINGS

SUMMARY:

Isobutyl alcohol (isobutanol, 2-methyl-1-propanol, C₄H₁₀O, CAS 78-83-1) is a colorless clear liquid with a slightly suffocating, characteristic alcoholic odor. It is a branched-chain primary alcohol with a molecular weight of 74.12 g/mol, melting point of -108°C, and boiling point of 108°C. Isobutanol is moderately soluble in water (95 g/L at 20°C) and miscible with most organic solvents including ethanol and ether. It has a flash point of 28°C and is classified as a flammable liquid. Industrial production is primarily via the oxo process (carbonyl synthesis) from propylene and synthesis gas, where isobutyraldehyde is produced and subsequently hydrogenated to isobutanol. The largest applications include chemical synthesis (production of isobutyl acetate, isobutyl methacrylate, and plasticizers), solvent applications (coatings, inks, extractants), flavor and fragrance industry (FEMA 2179), pharmaceutical manufacturing, and petroleum additives (antioxidants like BHT).

Key Properties:

Main Application Areas:

Key Safety Points:

• FLAMMABLE: Flash point 28°C; keep away from heat, sparks, open flames (H226)

• IRRITANT: Causes skin irritation (H315)

• EYE HAZARD: Causes serious eye damage (H318)

• RESPIRATORY IRRITANT: May cause respiratory irritation (H335)

• DROWSINESS: Vapors may cause drowsiness and dizziness (H336)

• VAPOR HAZARD: Vapors are heavier than air (2.55 x air); may travel to ignition sources

• STATIC ELECTRICITY: May accumulate static charge; use grounding and bonding

• USE VENTILATION: Use only in well-ventilated areas or under local exhaust

• USE PPE: Protective gloves, safety goggles, face shield

• STORAGE: Store below 30°C, away from oxidizers and aluminum

• IDLH: 1,600 ppm; NIOSH REL: 100 ppm (300 mg/m³)

IMPORTANT WARNINGS:

Flammability Hazard: Isobutyl alcohol is a flammable liquid with a flash point of 28°C (82°F). Its vapors form explosive mixtures with air in the range of 1.5-12% by volume. Vapors are heavier than air (vapor density 2.55) and may travel along the ground to distant ignition sources, then flash back to the source. Keep away from heat, sparks, open flames, and all other ignition sources. Use explosion-proof electrical equipment and non-sparking tools. Ground containers when transferring to prevent static discharge.

Eye Damage Hazard: Isobutyl alcohol causes serious eye damage (H318). In animal studies, 2 mg caused severe eye irritation with corneal damage. Eye contact can result in corneal injury, conjunctivitis, and potential vision impairment. Immediate and thorough eye washing is essential. Always wear chemical safety goggles and face shield when handling.

Respiratory and CNS Effects: Vapors may cause respiratory irritation (H335), drowsiness, and dizziness (H336). High concentrations can cause headache, nausea, and central nervous system depression. The NIOSH recommended exposure limit is 100 ppm (300 mg/m³) as a TWA, and the ACGIH TLV is 50 ppm (150 mg/m³). The IDLH (Immediately Dangerous to Life and Health) concentration is 1,600 ppm. Use adequate ventilation or local exhaust to keep vapor concentrations below exposure limits.

Storage Incompatibilities: Isobutyl alcohol is incompatible with strong oxidizing agents (which can cause violent reactions or fire), aluminum (can cause corrosion and hydrogen gas formation), acid chlorides, acid anhydrides, and strong acids. Do not store in aluminum containers. Store in approved containers (HDPE, steel, glass) in a cool, dry, well-ventilated area below 30°C. Keep away from oxidizers and acids.

Fire Fighting: Use dry chemical powder, dry sand, carbon dioxide (CO₂), alcohol-resistant foam, or water spray for extinction. Water spray may be ineffective on fire but can be used to cool containers and dilute spills. Thermal decomposition produces toxic and irritating gases including carbon monoxide and carbon dioxide. Firefighters should wear self-contained breathing apparatus (SCBA) and full protective clothing.

Derivatives and Uses: The most important derivatives of isobutanol are isobutyl acetate (a coating solvent with a pleasant fruity odor used in nitrocellulose lacquers and as a flavoring agent), isobutyl methacrylate (used in polymer production), diisobutyl phthalate (DIBP) and dibutyl phthalate (DBP) (plasticizers), and isobutyronitrile (an intermediate for the pesticide diazinon). Isobutanol is also used to produce the antioxidant 2,6-di-tert-butyl-p-cresol (BHT).

Natural Occurrence: Isobutanol is one of the main components of the aroma of fresh tea leaves, black tea, and green tea. It is also found in fermented beverages as a fusel oil component. Natural isobutanol is available for flavor and fragrance applications (FEMA 2179). Permitted usage levels: soft drinks 17 mg/kg, cold drinks 7.0 mg/kg, candy 30 mg/kg, baked goods 24 mg/kg.

Extraction Solvent Applications: Isobutanol is used as an extraction solvent for lithium chloride from mixtures of lithium chloride and sodium chloride or potassium chloride. It is also used to separate strontium bromide and barium bromide. As an extraction solvent for spice oleoresins, the maximum allowable residual amount in the final product is 50 ppm. For hop extraction, the maximum allowable residue is 2.0 ppm. For lemon oil extraction, the maximum allowable residue is 6 ppm.

Regulatory Status: Isobutyl alcohol is listed on the TSCA inventory (USA), DSL (Canada), EINECS (EU), and other international chemical inventories. It is approved as a flavoring agent by FEMA (2179) and JECFA (251). The HS code for export/import is 2905 19 90.

Important Disclaimer: This Technical Data Sheet (TDS) is for informational purposes only. For complete safety, handling, storage, and regulatory compliance information, always refer to the official Safety Data Sheet (SDS) provided by the manufacturer/supplier. Isobutyl alcohol is a flammable liquid and eye irritant. Always use appropriate personal protective equipment. Ensure adequate ventilation. Keep away from ignition sources and incompatibles. In case of fire or spill, follow emergency procedures. Seek immediate medical attention for significant exposures, especially eye contact.