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Phosphonobutane Tricarboxylic Acid, 2-Phosphonobutane-1,2,4-tricarboxylic Acid, PBTC, PBTCa, 37971-36-1

Phosphonobutane Tricarboxylic Acid, 2-Phosphonobutane-1,2,4-tricarboxylic Acid, PBTC, PBTCa, 37971-36-1

2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID (PBTC)

PRODUCT IDENTIFIER INFORMATION

Parameter Information
Product Name 2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTC)
Chemical Name (IUPAC) 2-Phosphonobutane-1,2,4-tricarboxylic acid
CAS Number 37971-36-1
EC Number (EINECS) 253-733-5
Molecular Formula C₇H₁₁O₉P
Molecular Weight 270.13 g/mol

SECTION 1: CHEMICAL IDENTITY AND DESCRIPTION

Parameter Information
Chemical Name (IUPAC) 2-Phosphonobutane-1,2,4-tricarboxylic acid
Systematic Name 2-Phosphono-1,2,4-butanetricarboxylic acid
Synonyms PBTC, PBTCa, 2-Phosphonobutane-1,2,4-tricarboxylic acid, PBTCA, Phosphonobutane Tricarboxylic Acid
Abbreviations PBTC, PBTCa, PBTCA
CAS Number 37971-36-1
EC Number (EINECS) 253-733-5
Molecular Formula C₇H₁₁O₉P
Molecular Weight 270.13 g/mol
Chemical Class Organophosphonic acid (phosphonocarboxylate)
Physical State (20°C) Clear to slightly yellowish liquid (40-50% solution) or white crystalline powder (solid)
Odor Slight characteristic
Taste Acidic (not applicable for direct consumption)

SECTION 2: PHYSICAL AND CHEMICAL PROPERTIES

Property Value Test Method
Appearance (Solution) Clear to slightly yellowish liquid Visual
Appearance (Solid) White crystalline powder Visual
Odor Slight characteristic Olfactometric
Molecular Weight 270.13 g/mol Calculated
Density (20°C, Solution) ~1.25 – 1.30 g/cm³ ASTM D4052
pH (1% Solution, 25°C) 1.8 – 2.5 pH Meter
Active Content (Commercial Solution) 40 – 50% Titrimetric / HPLC
Solubility in Water Completely soluble General Method
Thermal Stability Excellent; stable up to 200°C TGA
Stability Stable under normal conditions; incompatible with strong oxidizing agents  

SECTION 3: CHEMICAL PROPERTIES AND REACTIVITY

Parameter Information
Chemical Character Organophosphonic acid (phosphonocarboxylate); scale and corrosion inhibitor; chelating agent
Chelation Forms stable complexes with Ca²⁺, Mg²⁺, Fe²⁺/Fe³⁺, Cu²⁺, Zn²⁺
Scale Inhibition Excellent CaCO₃ scale inhibition through threshold effect and crystal distortion
Corrosion Inhibition Effective cathodic corrosion inhibitor, especially on carbon steel
Calcium Tolerance Excellent; high tolerance to calcium ions without precipitation
Thermal Stability Excellent; stable up to 200°C
Incompatible Materials Strong oxidizing agents, strong bases
Decomposition Products (Heating) CO, CO₂, phosphorus oxides (P₂O₅)
Hazardous Polymerization Does not occur

SECTION 4: PBTC POWDER VS. LIQUID FORM COMPARISON

Property PBTC Powder Form PBTC Liquid Form
Physical Appearance White crystalline powder Clear to slightly yellowish liquid
Solubility Water soluble; requires dissolution before use Completely water soluble; direct dosing possible
Density Solid form, density not specified ~1.25–1.30 g/cm³ (20°C)
pH (1% Solution) ~2.0 ± 0.5 in solution 2.0 ± 0.5
Active Content 100% PBTC 40–50% PBTC (commercial solutions)
Shelf Life Long; protect from moisture ~12 months, cool and sealed packaging
Packaging 25 kg bag, cardboard box 30 kg plastic drum, 250 kg IBC tank
Advantages - Concentrated form, low shipping cost  
  • Long shelf life | - Direct use, no dissolution required

  • Compatible with automatic dosing pumps |
    | Disadvantages | - Requires dissolution process

  • Risk of moisture absorption | - More bulky, higher shipping cost

  • Shorter shelf life compared to powder |
    | Typical Application | Long-term storage, logistics advantage | Continuous feed systems, practical use |

SECTION 5: PHOSPHONATES COMPARISON

Property PBTC HEDP ATMP EDTMP DTPMP
CAS Number 37971-36-1 2809-21-4 6419-19-8 1429-50-1 15827-60-8
Chemical Class Phosphonocarboxylate Diphosphonate Phosphonate Phosphonate Polyphosphonate
Phosphorus Content ~11.5% ~30% ~31% ~28% ~27%
Calcium Tolerance Excellent Excellent Good Moderate Good
Chlorine Stability Excellent Excellent Moderate Poor Poor
Thermal Stability Up to 200°C Up to 250°C Up to 200°C Up to 150°C Up to 150°C
Scale Inhibition Excellent Excellent Very Good Very Good Excellent
Primary Use Cooling water, RO, oil & gas, detergents Cooling water, boilers, oil & gas Cooling water, oil & gas Cooling water, boilers Cooling water, oil & gas

SECTION 6: FUNCTIONAL PROPERTIES AND MECHANISM OF ACTION

Property Description
Excellent Scale Inhibitor Prevents CaCO₃ and other mineral scale precipitation through threshold effect and crystal modification
High Calcium Tolerance Forms soluble complexes with calcium ions; does not precipitate even at high calcium concentrations
Corrosion Inhibitor Provides cathodic corrosion protection; forms protective film on metal surfaces
Metal Ion Chelation Forms stable water-soluble complexes with Ca²⁺, Mg²⁺, Fe²⁺/Fe³⁺, Cu²⁺, Zn²⁺
High Temperature Performance Effective under high temperature, high hardness, and high alkalinity conditions
Chlorine Stable Does not degrade in presence of chlorine; suitable for chlorinated water systems
Dispersing Agent Prevents agglomeration of suspended particles in water systems

SECTION 7: PRIMARY APPLICATION AREAS AND DOSAGE

Sector / Application Function Typical Dosage
Cooling Water Systems Scale and corrosion inhibitor 5 – 15 ppm (continuous feed)
Boiler Water Treatment Scale inhibitor 5 – 20 ppm
Reverse Osmosis (RO) Systems Scale inhibitor (CaCO₃, CaSO₄, BaSO₄) 2 – 10 ppm
Oilfield Injection Water Scale and corrosion prevention in injection wells 10 – 30 ppm
Detergent Industry Chelating and metal cleaning agent 500 – 2000 ppm
Textile Industry Prevents dye particle adhesion; improves color fastness 10 – 50 ppm
Ceramic Industry Prevents ceramic particle agglomeration during processing 10 – 50 ppm
Medical Research Antimicrobial properties under investigation Research stage

SECTION 8: QUALITY SPECIFICATIONS (COMMERCIAL SOLUTION - 50% ACTIVE)

Parameter Specification Test Method
Appearance Clear to slightly yellowish liquid Visual
Active Content (PBTC) 48 – 52% Titrimetric / HPLC
Phosphorous Acid (H₃PO₃) ≤ 1.0% Titrimetric
Phosphoric Acid (H₃PO₄) ≤ 0.5% Titrimetric
Chloride (Cl⁻) ≤ 0.01% Argentometric
Iron (Fe) ≤ 20 ppm AAS
Heavy Metals (as Pb) ≤ 10 ppm ICP-MS
Density (20°C) 1.25 – 1.30 g/cm³ ASTM D4052
pH (1% Solution, 25°C) 1.8 – 2.5 pH Meter

SECTION 9: QUALITY SPECIFICATIONS (SOLID / POWDER FORM)

Parameter Specification Test Method
Appearance White crystalline powder Visual
Active Content (PBTC) ≥ 98.0% Titrimetric / HPLC
Loss on Drying (105°C, 2 hours) ≤ 1.0% Gravimetric
Iron (Fe) ≤ 20 ppm AAS
Heavy Metals (as Pb) ≤ 10 ppm ICP-MS

SECTION 10: TOXICOLOGICAL PROFILE

Parameter Value
Acute Oral Toxicity (LD50, Rat) > 2,000 mg/kg (low toxicity)
Skin Irritation Mild irritant
Eye Irritation Irritant
Respiratory Irritation Inhalation of mist may cause irritation
Carcinogenicity Not classified
Mutagenicity Negative in standard tests
Environmental Toxicity Low to moderate aquatic toxicity
Biodegradability Not readily biodegradable

SECTION 11: GHS CLASSIFICATION AND LABELING

GHS Classification (compliant with 1272/2008/EC):

Hazard Class Category H-Statement
Acute Toxicity (Oral) Category 4 H302
Skin Irritation Category 2 H315
Serious Eye Damage/Irritation Category 1 H318
STOT - SE Category 3 H335

Signal Word: DANGER

Hazard Pictograms: GHS05 (Corrosive), GHS07 (Exclamation Mark)

Hazard Statements (H-Codes):

Code Statement
H302 Harmful if swallowed
H315 Causes skin irritation
H318 Causes serious eye damage
H335 May cause respiratory irritation

SECTION 12: PRECAUTIONARY STATEMENTS (P-CODES)

Code Statement
P261 Avoid breathing dust/fume/gas/mist/vapors/spray
P280 Wear protective gloves/protective clothing/eye protection/face protection
P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell
P302+P352 IF ON SKIN: Wash with plenty of water and soap
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
P310 Immediately call a POISON CENTER/doctor
P501 Dispose of contents/container to approved hazardous waste facility

SECTION 13: FIRST AID MEASURES

Exposure Route Action to Take
Inhalation Move to fresh air. Seek medical attention if respiratory irritation persists.
Skin Contact Wash with plenty of water and soap for at least 15 minutes. Remove contaminated clothing. Seek medical attention if irritation persists.
Eye Contact Rinse immediately with plenty of water for at least 15 minutes. Remove contact lenses if present. Seek immediate medical attention.
Ingestion Rinse mouth with water. Do NOT induce vomiting. Drink plenty of water. Seek medical attention.

SECTION 14: FIREFIGHTING MEASURES

Parameter Information
Fire Hazard Non-flammable; decomposes releasing toxic fumes
Hazards During Fire CO, CO₂, phosphorus oxides (P₂O₅)
Suitable Extinguishing Media Any extinguishing media appropriate for surrounding fire
Special Protective Equipment Self-contained breathing apparatus (SCBA), full protective clothing
Special Precautions Prevent firefighting water from entering environment

SECTION 15: STORAGE AND SHELF LIFE

Parameter Information
Storage Conditions Cool, dry, shaded area; tightly closed containers
Container Requirements Plastic drums (HDPE), IBC tanks; protect from moisture
Keep Away From Strong oxidizing agents, strong bases
Shelf Life (Solution) ~12 months (under appropriate storage conditions)
Shelf Life (Solid) 24 months (unopened original packaging; protect from moisture)
Stability Note Solid form is hygroscopic; protect from moisture absorption

SECTION 16: PACKAGING OPTIONS

Packaging Type Quantity Material
Plastic drum 30 kg HDPE
IBC Tank 250 kg HDPE
Plastic drum 200 L HDPE
Kraft bag (powder form) 25 kg Kraft paper + PE liner
Cardboard box (powder form) 25 kg Cardboard + PE liner

SECTION 17: TRANSPORTATION INFORMATION

Parameter Information
UN Number UN 3265 (Corrosive Liquid, Acidic, Organic, n.o.s.)
Hazard Class 8 (Corrosive)
Packing Group III
ADR/RID UN 3265, Corrosive Liquid, 8, PG III
IMDG Code UN 3265, Corrosive Liquid, 8, PG III
IATA (Air) UN 3265, Corrosive Liquid, 8, PG III
Marine Pollutant No
Transport Temperature Ambient; protect from freezing

SECTION 18: REGULATORY STATUS

Region / Authority Status
European Union REACH registered; approved for water treatment and industrial applications
USA (EPA) Registered; approved for cooling water and boiler treatment
Turkey Industrial chemical; subject to chemical registration regulations
NSF International Certified for drinking water treatment chemicals (specific grades)

SECTION 19: OTHER NAMES AND SYNONYMS

Type Name
Common Names PBTC, PBTCa, PBTCA, 2-Phosphonobutane-1,2,4-tricarboxylic acid
Chemical Names 2-Phosphono-1,2,4-butanetricarboxylic acid, Phosphonobutane Tricarboxylic Acid
Turkish Names Fosfono Bütan Trikarboksilik Asit
CAS Number 37971-36-1
EC Number 253-733-5

SECTION 20: APPLICATION DOSAGE SUMMARY TABLE

Sector Application Typical Dosage
Cooling Water Systems Scale and corrosion inhibitor 5 – 15 ppm (continuous feed)
Boiler Water Treatment Scale inhibitor 5 – 20 ppm
Reverse Osmosis (RO) Scale inhibitor 2 – 10 ppm
Oilfield Injection Water Scale and corrosion prevention 10 – 30 ppm
Detergent Industry Chelating agent 500 – 2000 ppm
Textile Industry Anti-adhesion agent 10 – 50 ppm
Ceramic Industry Anti-agglomeration 10 – 50 ppm

SECTION 21: INDUSTRIAL ADVANTAGES SUMMARY

Advantage Description
High Calcium Tolerance Excellent tolerance to calcium ions without precipitation; superior to many other phosphonates
High Temperature Performance Effective under high temperature, high hardness, and high alkalinity conditions
Chlorine Stability Stable in presence of chlorine; suitable for chlorinated water systems
Synergy with Zinc and Copolymers High-performance combinations with zinc salts and copolymers
Versatility Wide range of industrial applications from water treatment to detergents and textiles
Low Dosage Efficiency Effective at very low concentrations (5-15 ppm for scale inhibition)

SECTION 22: SUMMARY TABLE

Parameter Value
Product 2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTC)
CAS Number 37971-36-1
Molecular Formula C₇H₁₁O₉P
Molecular Weight 270.13 g/mol
Appearance (Solution) Clear to slightly yellowish liquid
Appearance (Solid) White crystalline powder
pH (1% Solution) 1.8 – 2.5
Primary Function Scale inhibitor, corrosion inhibitor, chelating agent
Shelf Life (Solution) ~12 months
Shelf Life (Solid) 24 months
GHS Signal Word Danger
UN Number UN 3265 (Corrosive Liquid, 8, PG III)

SECTION 23: CRITICAL WARNINGS AND BEST PRACTICES

CRITICAL WARNINGS:

  1. Eye Damage: Causes serious eye damage (H318). Always wear chemical splash goggles and face shield.

  2. Skin Irritation: Causes skin irritation (H315). Wear acid-resistant gloves and protective clothing.

  3. Harmful if Swallowed: May cause gastrointestinal irritation (H302).

  4. Acidic Solution: Commercial solution is acidic (pH 1.8-2.5); handle with appropriate acid-resistant equipment.

  5. Powder Hygroscopicity: Solid/powder form is hygroscopic; protect from moisture absorption.

BEST PRACTICE RECOMMENDATIONS:

  1. Cooling Water: Use at 5-15 ppm continuous feed for optimal scale and corrosion inhibition; combine with zinc salts and copolymers for enhanced performance.

  2. Reverse Osmosis: Use at 2-10 ppm as scale inhibitor for CaCO₃, CaSO₄, and BaSO₄ control.

  3. Oilfield Injection: Use at 10-30 ppm for scale prevention in injection wells and improved oil recovery efficiency.

  4. Detergents: Use at 500-2000 ppm as chelating and metal cleaning agent.

  5. Powder Form: Dissolve completely before use; protect from moisture during storage.

  6. Liquid Form: Suitable for automatic dosing pumps; no pre-dissolution required.

LEGAL DISCLAIMER:

The information provided in this document is presented in good faith based on our current knowledge and experience; however, since all usage conditions are beyond our control, it does not constitute a binding specification or warranty. This Technical Data Sheet is for informational purposes only. Users are obligated to test the suitability for their own applications. For complete safety, storage, handling, transportation, disposal, and regulatory compliance information, refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.

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