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Triisobutyl Phosphate, Tri-isobutyl Phosphate, TIBP, 126-71-6

Triisobutyl Phosphate, Tri-isobutyl Phosphate, TIBP, 126-71-6

TRIISOBUTYL PHOSPHATE (TIBP)

Triisobutyl Phosphate / Tri Iso Butyl Phosphate / Tris(2-methylpropyl) Phosphate / Phosphoric Acid Triisobutyl Ester
CAS Number: 126-71-6
EC Number: 204-798-3

1. IDENTIFICATION INFORMATION

Property Information
Chemical Name Triisobutyl Phosphate
Other Names Tri Iso Butyl Phosphate, Tris(2-methylpropyl) phosphate, Phosphoric acid triisobutyl ester, TIBP
Chemical Formula C12H27O4P
Molecular Weight 266.31 g/mol
CAS Number 126-71-6
EC Number (EINECS) 204-798-3
Appearance Colorless, transparent liquid
Physical State Liquid

2. PHYSICAL PROPERTIES

Property Value
Physical State (20°C) Liquid
Appearance Colorless, transparent liquid
Chemical Formula C12H27O4P
Molecular Weight 266.31 g/mol
Density (20°C) 0.965 g/mL
Melting Point 150°C
Boiling Point ~205°C
Flash Point 150°C
Autoignition Temperature 430°C (DIN 51794)
Vapor Pressure (20°C) 0.002 hPa
Water Solubility (25°C) 264 mg/L
Refractive Index (n20/D) 1.420
Flammability Combustible when exposed to high heat, open flame, or oxidizers
Decomposition Products Toxic phosphorus oxides upon thermal decomposition

3. CHEMICAL PROPERTIES

Property Information
Chemical Formula C12H27O4P
Molecular Weight 266.31 g/mol
Chemical Class Organophosphate ester
Functional Group Phosphate ester (P=O with three alkoxy groups)
Structure (CH3)2CHCH2O-P(=O)(OCH2CH(CH3)2)2
Hydrolysis Hydrolyzes slowly in water
Stability Stable under normal conditions
Thermal Decomposition Produces toxic phosphorus oxides (POx)
Incompatible Materials Strong oxidizing agents, strong bases, high heat

General Structure:

        O
        ||
(CH3)2CHCH2O - P - OCH2CH(CH3)2
        |
        OCH2CH(CH3)2

4. PRODUCTION PROCESS

Method Description
Esterification (Industrial Standard) Isobutanol + Phosphorus oxychloride (POCl3) → Triisobutyl phosphate + HCl
Reaction Conditions Low temperature (≤20°C) initially, then raise to 65-70°C
Reaction Time 3-4 hours under reduced pressure
Purification Vacuum distillation to remove excess alcohol and HCl
Final Product Purity >99%
Yield >85%

Reaction Equation:

POCl3 + 3 (CH3)2CHCH2OH → (CH3)2CHCH2O-P(=O)(OCH2CH(CH3)2)2 + 3 HCl

5. AVAILABLE FORMS AND SPECIFICATIONS

Form Purity Description Applications
Technical Grade ≥99.0% Colorless transparent liquid Textile chemicals, defoamers, penetrants
High Purity Grade ≥99.5% Colorless transparent liquid Specialty applications, inks, construction chemicals

Typical Specifications:

Parameter Specification Test Method
Assay (C12H27O4P) ≥99.0% GC
Appearance Colorless transparent liquid Visual
Density (20°C) 0.960 - 0.970 g/cm³ Hydrometer
Refractive Index (n20/D) 1.418 - 1.422 Refractometer
Water Content ≤0.1% Karl Fischer
Acidity (as H3PO4) ≤0.05% Titration
Color (APHA) ≤50 Colorimetric
Ash Content ≤0.01% Gravimetric

6. APPLICATIONS

6.1. Textile Industry – Most Common Use

Application Function
Textile Auxiliaries Processing aid in textile manufacturing
Penetrants Enhances penetration of dyes and finishing agents into fabrics
Dyeing Aids Improves dye uniformity and color fastness
Leveling Agents Promotes even dye distribution
Wetting Agents Reduces surface tension for better fiber wetting

6.2. Defoamers (Foam Control Agents)

Application Function
Industrial Defoamer Prevents and eliminates foam in various processes
Textile Processing Foam control in dyeing and finishing baths
Pulp and Paper Foam suppression in paper manufacturing
Water Treatment Foam control in wastewater treatment
Chemical Processing Foam prevention in reactors and mixing vessels

6.3. Printing Inks

Application Function
Ink Formulations Levelling agent, flow improver
Flexographic Inks Improves print quality and uniformity
Gravure Inks Enhances ink transfer and drying properties
Screen Printing Inks Improves flow and leveling

6.4. Construction Chemicals

Application Function
Concrete Admixtures Air entrainment control, defoamer
Mortar and Grout Improves workability and foam suppression
Gypsum Products Processing aid, defoamer
Cement Grinding Aids Improves grinding efficiency

6.5. Oil Field Chemicals

Application Function
Drilling Fluids Defoamer for drilling muds
Production Chemicals Foam control in oil/gas separation
Enhanced Oil Recovery Surfactant additive
Well Stimulation Foam suppression in acidizing operations

6.6. Plastics and Polymers Industry

Application Function
Plastic Additives Processing aid, lubricant
Polymer Processing Defoamer and flow improver
PVC Compounding Plasticizer (limited use)
Rubber Manufacturing Processing aid, dispersant

6.7. Paints and Coatings

Application Function
Paint Formulations Defoamer, flow control agent
Water-based Coatings Foam suppression during application
Industrial Coatings Leveling agent

6.8. Other Applications

Application Function
Metalworking Fluids Defoamer, lubricant additive
Adhesives Foam control agent
Cleaning Products Defoamer in industrial cleaners
Agrochemicals Emulsifier, adjuvant
Leather Processing Wetting agent, penetrant

7. PHOSPHATE ESTERS COMPARISON TABLE

Phosphate Ester Abbreviation CAS Key Applications Suitability for TIBP
Triisobutyl Phosphate TIBP 126-71-6 Textile auxiliaries, defoamers, penetrants, inks, construction chemicals, oil field Base compound
Tributyl Phosphate TBP 126-73-8 Nuclear fuel processing, metal extraction, defoamer Higher extraction efficiency, different selectivity
Trioctyl Phosphate TOP 78-42-2 Plasticizers, lubricant additives Higher molecular weight, better heat stability
Triethyl Phosphate TEP 78-40-0 Catalyst, ethylating agent, stabilizer Lower viscosity, more volatile
Triphenyl Phosphate TPP 115-86-6 Flame retardant, plasticizer Solid at room temperature, different compatibility
Tri(2-ethylhexyl) Phosphate TEHP 78-42-2 Plasticizers, synthetic lubricants Higher molecular weight, better flexibility

Industry Suitability Summary:

Industry TIBP TBP TOP TEP TPP TEHP
Textile & Dyes Very High Medium Low Medium Low Low
Inks & Printing Very High Medium Low Medium Low Low
Construction Chemicals Very High Medium Medium Very High Medium Medium
Oil Field Very High Medium Low Low Low Low
Nuclear & Metallurgy Low Very High Low Low Low Low
Plastics & Polymers Medium Medium Very High Medium Very High Very High
Food & Pharmaceutical Low Low Low Low Low Low

8. SAFETY AND HEALTH INFORMATION (GHS CLASSIFICATION)

Hazard Class Category
Skin Sensitization Category 1 (H317)
Flammable Liquid Category 4 (H227)
Acute Toxicity Low toxicity (see toxicological data)

Risk Phrases (EU):

Code Statement
R43 May cause sensitization by skin contact

Safety Phrases (EU):

Code Statement
S36/37 Wear suitable protective clothing and gloves

9. HAZARD STATEMENTS (H-CODES)

Code Statement
H227 Combustible liquid
H317 May cause an allergic skin reaction

10. SAFETY STATEMENTS (P-CODES)

Code Statement
P210 Keep away from heat, hot surfaces, sparks, open flames, and other ignition sources. No smoking
P261 Avoid breathing mist/vapors/spray
P272 Contaminated work clothing should not be allowed out of the workplace
P280 Wear protective gloves, protective clothing, eye protection, face protection
P302+P352 IF ON SKIN: Wash with plenty of water
P333+P313 If skin irritation or rash occurs: Get medical advice/attention
P362+P364 Take off contaminated clothing and wash it before reuse

11. TOXICOLOGICAL INFORMATION

Parameter Value
Oral LD50 (rabbit) >5,000 mg/kg (very low toxicity)
Dermal LD50 (rabbit) >5,000 mg/kg (very low toxicity)
Skin Sensitization May cause sensitization (R43)
Carcinogenicity Not classified as carcinogenic
Mutagenicity Not classified
Reproductive Toxicity Not classified

Health Effects:

Exposure Effect
Acute (Inhalation) Low toxicity; may cause mild respiratory irritation
Acute (Skin Contact) May cause allergic skin reaction in susceptible individuals
Acute (Eye Contact) Mild irritant
Acute (Ingestion) Low toxicity; large amounts may cause gastrointestinal discomfort
Chronic Repeated exposure may cause skin sensitization

Water Hazard Classification (WGK Germany):

Class Rating
WGK 1 Low hazard to water

12. FIRST AID MEASURES

Exposure Route Action
Inhalation Remove to fresh air. If breathing difficulty, give oxygen. Seek medical attention if symptoms persist.
Skin Contact Wash with soap and plenty of water. Remove contaminated clothing. Seek medical attention if skin irritation or rash develops.
Eye Contact Rinse immediately with plenty of water for at least 15 minutes. Remove contact lenses. Seek medical attention if irritation persists.
Ingestion Rinse mouth. Drink plenty of water. Do NOT induce vomiting. Seek medical attention if large amount ingested.

13. FIRE FIGHTING MEASURES

Parameter Information
Fire Hazard Combustible liquid (flash point 150°C)
Extinguishing Media Water spray, CO₂, dry chemical powder, foam
Special Hazards Thermal decomposition produces toxic gases including phosphorus oxides (POx)
Protective Equipment Self-contained breathing apparatus (SCBA), full protective clothing

14. ENVIRONMENTAL INFORMATION

Parameter Information
Aquatic Toxicity Low toxicity to aquatic organisms (264 mg/L solubility)
Biodegradability Slowly biodegradable
Bioaccumulation Low to moderate potential
Water Hazard Classification WGK 1 (Low hazard to water)
Waste Disposal Dispose according to local regulations. Controlled incineration recommended.

15. STORAGE AND HANDLING

Parameter Information
Storage Temperature Below +30°C
Storage Conditions Cool, dry, well-ventilated area
Container Requirements Tightly closed containers (HDPE, steel, glass)
Protect from High heat, open flames, strong oxidizing agents, strong bases
Shelf Life 12-24 months (unopened, proper storage)
Hygroscopicity Low
Incompatible Materials Strong oxidizing agents, strong bases
Packaging Options 25 kg drum, 200 kg drum, 1000 kg IBC, bulk container

Handling Notes:

  • Avoid prolonged or repeated skin contact (may cause sensitization)

  • Use with adequate ventilation

  • Wear chemical resistant gloves (nitrile, neoprene)

  • Keep away from ignition sources

  • In case of spill, contain with inert absorbent material

16. TRANSPORT INFORMATION

Parameter Information
UN Number Not regulated (generally not classified as dangerous goods for transport)
Hazard Class Not applicable
Packing Group Not applicable
Proper Shipping Name Triisobutyl phosphate
Marine Pollutant No
ADR/RID Not classified as dangerous goods

17. REGULATORY INFORMATION

Region Status
EU REACH registered; approved for industrial use
Türkiye (KKDİK) Mandatory compliance; registration required
USA (TSCA) Listed
Canada (DSL) Listed
Australia (AICS) Listed
Japan (ENCS) Listed
Korea (KECL) Listed
China (IECSC) Listed

EINECS: 204-798-3

WGK Germany: 1 (Low hazard to water)

18. OTHER NAMES AND SYNONYMS

Name
Triisobutyl Phosphate
Tri Iso Butyl Phosphate
Tris(2-methylpropyl) phosphate
Phosphoric acid triisobutyl ester
TIBP
Isobutyl phosphate (Tris)
Triisobutyl orthophosphate

Database Identifiers:

Database Identifier
CAS 126-71-6
EC 204-798-3
MDL MFCD00039855
PubChem CID 31352
InChIKey HRKAMJBPFPHCSD-UHFFFAOYSA-N

19. INDUSTRY SUITABILITY SUMMARY

Industry Suitability Usage Intensity Application Description
Textile & Dyes Very High High Textile auxiliaries, penetrants, dyeing aids, leveling agents
Inks & Printing Very High High Ink formulations, levelling agents, flow improvers
Construction Chemicals Very High High Concrete admixtures, defoamers, mortar and grout additives
Oil Field Very High High Drilling fluid defoamers, production chemicals
Paints & Coatings Medium Medium Defoamers, flow control agents
Plastics & Polymers Medium Medium Processing aids, lubricants
Metalworking Medium Low Defoamers, lubricant additives
Adhesives Low Low Foam control agents

20. SUMMARY AND IMPORTANT WARNINGS

SUMMARY:

Triisobutyl phosphate (TIBP, C12H27O4P, CAS 126-71-6) is a colorless, transparent liquid organophosphate ester. It has a molecular weight of 266.31 g/mol, density of 0.965 g/mL at 20°C, boiling point of approximately 205°C, and flash point of 150°C. It is produced by the esterification of isobutanol with phosphorus oxychloride (POCl3), yielding >99% purity product with >85% yield. TIBP is primarily used in the textile industry as an auxiliary chemical, penetrant, and dyeing aid. It is also widely used as a defoamer (foam control agent) in various industrial processes including textile processing, pulp and paper, water treatment, and chemical manufacturing. Additional applications include printing inks, construction chemicals (concrete admixtures), oil field chemicals (drilling fluid defoamers), plastics and polymers (processing aids), paints and coatings, metalworking fluids, and adhesives.

Key Properties:

Property Value
Appearance Colorless transparent liquid
Chemical Formula C12H27O4P
Molecular Weight 266.31 g/mol
Density (20°C) 0.965 g/mL
Boiling Point ~205°C
Flash Point 150°C
Autoignition Temperature 430°C
Water Solubility (25°C) 264 mg/L
Refractive Index (n20/D) 1.420
Primary Use Textile auxiliaries, defoamer, penetrant

Main Application Areas:

Industry Applications Intensity
Textile Auxiliaries, penetrants, dyeing aids, leveling agents Very High
Inks Formulations, levelling agents, flow improvers Very High
Construction Concrete admixtures, defoamers, mortar additives Very High
Oil Field Drilling fluid defoamers, production chemicals Very High
Paints/Coatings Defoamers, flow control agents Medium
Plastics/Polymers Processing aids, lubricants Medium
Metalworking Defoamers, lubricant additives Medium

Key Safety Points:

  • SKIN SENSITIZER: May cause allergic skin reaction (H317, R43)

  • COMBUSTIBLE: Flash point 150°C; keep away from high heat and open flames (H227)

  • LOW TOXICITY: Oral LD50 >5,000 mg/kg (rabbit); Dermal LD50 >5,000 mg/kg (rabbit)

  • THERMAL DECOMPOSITION: Produces toxic phosphorus oxides (POx) when heated

  • USE PPE: Wear protective gloves (nitrile, neoprene), protective clothing, safety goggles

  • STORAGE: Below 30°C, cool, dry, well-ventilated area away from oxidizers

  • WATER HAZARD: WGK 1 (Low hazard to water)

IMPORTANT WARNINGS:

Skin Sensitization Hazard: Triisobutyl phosphate is classified as a skin sensitizer (H317, R43). Prolonged or repeated skin contact may cause allergic skin reactions in susceptible individuals. Symptoms may include redness, itching, rash, and dermatitis. Once sensitized, subsequent exposure to even small amounts may trigger a reaction. Wear appropriate chemical resistant gloves (nitrile, neoprene) and protective clothing. If skin contact occurs, wash thoroughly with soap and water. Contaminated work clothing should not be allowed out of the workplace.

Flammability Considerations: Although TIBP has a relatively high flash point (150°C), it is still combustible. It should be kept away from high heat, open flames, sparks, and other ignition sources. The autoignition temperature is 430°C. Upon thermal decomposition, TIBP releases toxic phosphorus oxides (POx) which are irritating and hazardous to the respiratory tract. In case of fire, use water spray, CO₂, dry chemical powder, or foam. Firefighters should wear self-contained breathing apparatus (SCBA) and full protective clothing.

Low Acute Toxicity: Triisobutyl phosphate has very low acute toxicity. The oral LD50 in rabbits is >5,000 mg/kg, and the dermal LD50 is also >5,000 mg/kg. This indicates that TIBP is not acutely toxic via ingestion or skin absorption. However, it is still a skin sensitizer and may cause allergic reactions. Large ingestions may cause gastrointestinal discomfort.

Environmental Profile: TIBP has low water solubility (264 mg/L at 25°C) and is classified as WGK 1 (low hazard to water) in Germany. It is slowly biodegradable and has low to moderate bioaccumulation potential. While aquatic toxicity is low, large spills should be contained and prevented from entering waterways. Dispose of waste material in accordance with local environmental regulations.

Storage and Stability: Store TIBP below 30°C in a cool, dry, well-ventilated area. Keep containers tightly closed to prevent contamination and moisture ingress. Protect from strong oxidizing agents and strong bases, which may cause decomposition or undesirable reactions. Under normal storage conditions, TIBP is stable for 12-24 months.

Comparison with Other Phosphate Esters: TIBP is specifically optimized for textile auxiliaries, defoamers, penetrants, inks, construction chemicals, and oil field applications. For nuclear fuel processing and metal extraction, tributyl phosphate (TBP) is superior. For plasticizers in plastics and polymers, trioctyl phosphate (TOP) and tri(2-ethylhexyl) phosphate (TEHP) are preferred. For flame retardant applications, triphenyl phosphate (TPP) is commonly used. Each phosphate ester has unique properties suited to specific applications.

Defoamer Applications: TIBP is particularly effective as a defoamer (foam control agent) due to its surface-active properties. It reduces surface tension and destabilizes foam bubbles, causing them to collapse. It is used in textile processing, pulp and paper manufacturing, water treatment, chemical reactors, drilling fluids, and paint formulations. The effectiveness of TIBP as a defoamer is related to its low water solubility and ability to spread on liquid surfaces.

Textile Industry Specifics: In textile processing, TIBP serves multiple functions. As a penetrant, it helps dye and finishing solutions penetrate more deeply and uniformly into fabric fibers. As a leveling agent, it promotes even dye distribution, reducing streaks and uneven coloration. As a wetting agent, it reduces surface tension, allowing better wetting of hydrophobic fibers. These properties make TIBP a valuable auxiliary chemical in textile manufacturing.

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. Triisobutyl phosphate is a skin sensitizer. Avoid prolonged or repeated skin contact. Wear appropriate personal protective equipment. Keep away from high heat and open flames. In case of skin sensitization or allergic reaction, seek medical attention. Dispose of waste in accordance with local regulations.

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