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iso-Butanol is a branched primary alcohol commonly known as isobutanol, isobutyl alcohol, or 2-methylpropan-1-ol.
iso-Butanol is a colorless, mobile, flammable liquid with a characteristic sweet, musty, or wine-like odor.
iso-Butanol is used principally as a process solvent, coating solvent, chemical intermediate, ester precursor, flavoring substance, cleaning-formulation component, and specialty fuel intermediate.
CAS Number: 78-83-1
EC Number: 201-148-0
Molecular Formula: C4H10O
Molecular Weight: 74.12 g/mol
Synonyms: iso-Butanol, Isobutanol, Isobutyl Alcohol, iso-Butyl Alcohol, i-Butanol, i-Butyl Alcohol, 2-Methylpropan-1-ol, 2-Methyl-1-propanol, 1-Propanol, 2-methyl-, 2-Methylpropyl Alcohol, 2-Methylpropanol, 2-Methylpropanol-1, Isopropylcarbinol, Isopropyl Carbinol, Isobutyric Alcohol, Fermentation Butyl Alcohol, 1-Hydroxymethylpropane, Methyl-2-propanol-1, Butanol-iso, iso-C4H9OH, (CH3)2CHCH2OH, IBA, MIBOL, FEMA 2179, JECFA 251, RTECS NP9625000, UN 1212, RCRA Waste Number U140, CAS 78-83-1, EC 201-148-0, PubChem CID 6560, Branched Butyl Alcohol, Primary Aliphatic Alcohol, Coating Solvent, Process Solvent, Esterification Alcohol, Flavoring Alcohol, Chemical Intermediate
APPLICATIONS
iso-Butanol is used as a medium-boiling process solvent in organic synthesis and industrial formulation.
iso-Butanol is used to dissolve compatible resins, oils, dyes, intermediates, and other organic materials.
iso-Butanol is used where a slower evaporation rate than that of lower alcohols is beneficial.
iso-Butanol is used after solvency, drying rate, flash point, emissions, and equipment compatibility have been evaluated.
iso-Butanol is used in architectural, automotive, industrial, protective, furniture, and wood-coating formulations.
iso-Butanol is used as an active or latent solvent in selected cellulose lacquers and amino-resin baking finishes.
iso-Butanol is used to improve coating flow, leveling, gloss, and application behavior in compatible systems.
iso-Butanol is used after resin compatibility, pigment dispersion, drying, hardness, adhesion, and resistance testing.
iso-Butanol is used in printing inks, graphic-arts products, varnishes, and related resin systems.
iso-Butanol is used to control viscosity, solvent release, wetting, and film formation.
iso-Butanol is used in formulations applied by printing, coating, spraying, dipping, or other controlled processes.
iso-Butanol is used after substrate compatibility, blocking, odor, migration, and drying performance have been assessed.
iso-Butanol is used as a chemical intermediate for manufacturing isobutyl esters and other derivatives.
iso-Butanol is used in the production of isobutyl acetate and selected acrylate, methacrylate, carbonate, ether, and plasticizer intermediates.
iso-Butanol is used in esterification reactions with suitable organic and inorganic acids.
iso-Butanol is used after conversion, residual alcohol, acidity, water, catalyst, and by-product limits have been established.
iso-Butanol is used in hard-surface-care, cleaning, degreasing, and industrial maintenance formulations.
iso-Butanol is used as a solvent or coupling component in compatible aqueous and solvent-based cleaners.
iso-Butanol is used to improve the removal of oily, resinous, or coating-related residues.
iso-Butanol is used only after surface compatibility, worker exposure, flammability, ventilation, and wastewater effects have been evaluated.
iso-Butanol is used as a flavoring agent or flavoring adjuvant in authorized food applications.
iso-Butanol is listed by the United States FDA for specified flavoring and food-contact uses.
iso-Butanol is identified as JECFA flavoring substance number 251 and FEMA number 2179.
iso-Butanol is used in food only at compliant purity and use levels and must not be replaced with an ordinary technical or solvent grade.
iso-Butanol is used in selected fuel, fuel-intermediate, and renewable-fuel development processes.
iso-Butanol is evaluated as a higher alcohol because it has greater energy density and lower water affinity than ethanol.
iso-Butanol is also used as an intermediate for fuel additives and other oxygenated derivatives.
iso-Butanol fuel use requires compliance with current fuel-quality, engine, emissions, transport, and taxation requirements.
iso-Butanol is used as a laboratory reagent and analytical reference material.
iso-Butanol is used in gas chromatography, mass spectrometry, infrared spectroscopy, and solvent-quality analysis.
iso-Butanol is used to identify or quantify alcohols in process, environmental, food, fuel, and workplace samples.
iso-Butanol is used according to the required analytical purity, certificate of analysis, method validation, and current safety data sheet.
DESCRIPTION
iso-Butanol is the branched-chain structural isomer of normal butanol.
iso-Butanol consists of a primary hydroxymethyl group attached to a branched three-carbon framework.
iso-Butanol has the molecular formula C4H10O, molecular weight 74.12 g/mol, CAS number 78-83-1, and EC number 201-148-0.
iso-Butanol has the condensed structural formula (CH3)2CHCH2OH and the InChIKey ZXEKIIBDNHEJCQ-UHFFFAOYSA-N.
iso-Butanol is a colorless liquid with a characteristic sweet, musty, penetrating, or wine-like odor.
iso-Butanol has a representative boiling point of approximately 108°C and a melting point near −108°C.
iso-Butanol has a relative density near 0.80, vapor pressure near 1.2 kPa at 20°C, and vapor density approximately 2.55 times that of air.
iso-Butanol is partly soluble in water and miscible with many alcohols, ethers, and organic solvents.
iso-Butanol has a closed-cup flash point near 28°C and can form explosive vapor–air mixtures above that temperature.
iso-Butanol has representative explosive limits of approximately 1.7–10.9% by volume and an autoignition temperature near 415°C.
iso-Butanol vapor can travel along surfaces and ignite at a distant flame, spark, or hot surface.
iso-Butanol therefore requires closed handling, effective ventilation, grounding, bonding, and explosion-protected equipment in higher-risk operations.
iso-Butanol is classified in the European Union as a flammable liquid that causes skin irritation and serious eye damage.
iso-Butanol may also cause respiratory irritation, drowsiness, dizziness, headache, and central-nervous-system depression after significant vapor exposure.
iso-Butanol has a NIOSH recommended exposure limit of 50 ppm and an OSHA permissible exposure limit of 100 ppm as eight-hour time-weighted averages.
iso-Butanol has a NIOSH IDLH concentration of 1,600 ppm and must be handled under the exact classification and precautions stated in the regional supplier SDS.
PROPERTIES
Chemical Name: Isobutanol
Product Name: iso-Butanol
IUPAC Name: 2-Methylpropan-1-ol
Chemical Abstracts Index Name: 1-Propanol, 2-methyl-
Alternative Name: Isobutyl Alcohol
Chemical Family: Aliphatic alcohols
Functional Class: Branched primary alcohol
CAS Number: 78-83-1
EC Number: 201-148-0
European Index Number: 603-108-00-1
PubChem CID: 6560
RTECS Number: NP9625000
JECFA Number: 251
FEMA Number: 2179
RCRA Waste Number: U140
InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Molecular Formula: C4H10O
Condensed Structural Formula: (CH3)2CHCH2OH
SMILES: CC(C)CO
Molecular Weight: 74.12 g/mol
Physical State: Liquid
Appearance: Clear and colorless
Odor: Sweet, musty, penetrating, or wine-like
Representative Boiling Point: Approximately 108°C
Representative Melting Point: Approximately −108°C
Representative Relative Density: Approximately 0.80
Representative Vapor Pressure: Approximately 1.2 kPa at 20°C
Relative Vapor Density: Approximately 2.55
Water Solubility: Partly soluble
Representative Water Solubility: Approximately 8.7 g/100 mL at 20°C
Organic-Solvent Compatibility: Miscible with alcohol and ether and compatible with many organic solvents
Representative Log Pow: Approximately 0.8
Flash Point: Approximately 28°C closed cup
Autoignition Temperature: Approximately 415°C
Lower Explosive Limit: Approximately 1.7% by volume
Upper Explosive Limit: Approximately 10.9% by volume
Flammability Classification: Flammable Liquid Category 3
Skin Classification: Skin Irritation Category 2
Eye Classification: Serious Eye Damage Category 1
Respiratory Classification: STOT SE Category 3 for respiratory irritation
Narcotic-Effect Classification: STOT SE Category 3 for drowsiness or dizziness
Hazard Statements: H226, H315, H318, H335, and H336
Signal Word: Danger
NIOSH REL: 50 ppm or approximately 150 mg/m³ as an eight-hour TWA
OSHA PEL: 100 ppm or approximately 300 mg/m³ as an eight-hour TWA
NIOSH IDLH: 1,600 ppm
Conversion Factor: 1 ppm equals approximately 3.03 mg/m³
Primary Industrial Functions: Process solvent, coating solvent, chemical intermediate, ester precursor, and cleaning-formulation component
Food Function: Flavoring agent or flavoring adjuvant in authorized uses
Representative JECFA Flavor Assay: Minimum 98%
Representative JECFA Acid Value: Maximum 2
Representative JECFA Refractive Index: 1.392–1.398
Representative JECFA Specific Gravity: 0.799–0.801
Incompatible Materials: Strong oxidizing agents, chromium trioxide, aluminum, and other product-specific incompatible substances
Material Effects: May attack certain plastics, rubber materials, and coatings
Combustion Products: Carbon monoxide, carbon dioxide, and irritating fumes
UN Number: UN 1212
Transport Class: Class 3
Packing Group: III
Transport Description: Isobutanol or Isobutyl Alcohol
Storage Conditions: Cool and well-ventilated flammable-liquid storage
Environmental Precaution: Prevent uncontrolled entry into drains, soil, and surface water
Shelf Life: Grade, purity, water content, packaging, and supplier dependent
Identity, physical-property, exposure-limit, food-grade, and transport information is supported by NIST, NIOSH, ICSC, FDA, JECFA, ECHA, and current transport records.
FIRST AID
Inhalation:
Move the affected person to fresh air and keep them at rest.
Obtain medical attention if headache, dizziness, drowsiness, nausea, coughing, or breathing discomfort occurs.
Provide respiratory support through trained personnel if breathing becomes impaired.
Skin Contact:
Remove contaminated clothing and footwear.
Rinse the affected skin thoroughly with water and wash with soap.
Obtain medical advice if redness, pain, dryness, or irritation persists.
Eye Contact:
Immediately rinse the eyes continuously with clean water for at least 15 minutes.
Remove contact lenses if readily possible without delaying irrigation.
Obtain urgent medical attention because iso-Butanol can cause serious eye damage.
Ingestion:
Rinse the mouth and do not induce vomiting unless instructed by medical personnel.
Do not give anything by mouth to an unconscious or convulsing person.
Contact a physician or poison center after substantial ingestion or if symptoms occur.
Note to Physicians:
Treat symptomatically and provide supportive care.
Monitor respiratory, neurological, and cardiovascular status after significant exposure.
HANDLING AND STORAGE
Handling:
Avoid inhalation of vapor or mist and prevent skin and eye contact.
Use closed transfer equipment or an effective chemical fume hood.
Do not eat, drink, or smoke in handling areas.
Engineering Controls:
Provide general ventilation and local exhaust at transfer, mixing, sampling, spraying, and filling points.
Use explosion-protected ventilation and electrical equipment where flammable vapor may accumulate.
Prevent vapor accumulation in pits, drains, tanks, and other low or enclosed spaces.
Fire and Static Control:
Keep away from flames, sparks, hot surfaces, welding operations, and other ignition sources.
Ground and bond containers and transfer equipment.
Use non-sparking tools and appropriately rated pumps, switches, and instruments.
Personal Protection:
Wear chemically resistant gloves selected from verified permeation information.
Wear chemical goggles and a face shield where splashing is possible.
Use protective clothing and suitable respiratory protection where ventilation is insufficient.
Storage:
Store in tightly closed compatible containers in a cool, dry, and well-ventilated flammable-liquid area.
Protect from sunlight, excessive heat, physical damage, and unauthorized access.
Separate from strong oxidizing agents and other substances identified as incompatible in the product SDS.
Spill and Leak Procedures:
Eliminate ignition sources from a safe location and ventilate the affected area.
Contain the liquid with dry, inert, noncombustible absorbent material.
Place recovered material in compatible sealed hazardous-waste containers.
Environmental Precautions:
Prevent entry into drains, sewers, soil, groundwater, and surface water.
Notify the relevant authorities when reporting thresholds or permit conditions apply.
Fire Response:
Use alcohol-resistant foam, dry powder, carbon dioxide, or water spray as appropriate to the surrounding conditions.
Cool fire-exposed containers with water spray from a protected location.
Wear positive-pressure self-contained breathing apparatus where smoke or decomposition products are present.
Handling Precautions:
Confirm that technical, solvent, food, analytical, and high-purity grades meet the requirements of the intended application.
Follow the current certificate of analysis, regional safety data sheet, transport rules, workplace-exposure limits, and end-use regulations.
