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Tetrakis Hydroxy Methyl Phosphonium Sulfate, Octakis Hydroxymethyl Diphosphonium Sulfate, THPS, THPS 75, 55566-30-8

Tetrakis Hydroxy Methyl Phosphonium Sulfate, Octakis Hydroxymethyl Diphosphonium Sulfate, THPS, THPS 75, 55566-30-8

TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM SULFATE (THPS)

1. Chemical Identity and Material Classification

  • Chemical Name: Tetrakis(hydroxymethyl)phosphonium Sulfate

  • Synonyms: THPS, Tetrakis Hydroxymethyl Phosphonium Sulfate, Octakis(hydroxymethyl)diphosphonium sulfate, Bis[tetrakis(hydroxymethyl)phosphonium] sulfate

  • CAS Number: 55566-30-8

  • Molecular Formula: C₈H₂₄O₁₂P₂S

  • Molecular Weight: 406.28 g/mol

  • EC Number: 259-709-1

  • Typical Commercial Form: 75% aqueous solution (THPS 75%)

2. Physical Properties (75% Aqueous Solution)

Property Value
Appearance Clear, colorless to pale yellow liquid
Odor Slight characteristic odor
Concentration 75 ± 1% w/w (typical commercial grade)
Density (20°C) 1.35–1.40 g/cm³
pH (as is) 3.0–5.0 (acidic)
Viscosity (20°C) 15–30 cP (centipoise)
Freezing point Approximately -20°C
Boiling point Decomposes before boiling
Flash point >100°C (non-flammable)
Solubility in water Fully miscible
Solubility in organic solvents Soluble in alcohols; insoluble in hydrocarbons

3. Chemical Properties and Structure

3.1 Molecular Structure

  • Structure type: Quaternary phosphonium salt with four hydroxymethyl groups (–CH₂OH) attached to phosphorus

  • Cation: [P(CH₂OH)₄]⁺

  • Anion: SO₄²⁻ (sulfate)

  • Stoichiometry: Two phosphonium cations per sulfate anion: [P(CH₂OH)₄]₂SO₄

3.2 Key Chemical Characteristics

Parameter Value
Active phosphorus content ~7.6% (in 75% solution)
Formaldehyde content (free) ≤ 0.1% (typical)
Potential formaldehyde release Yes (upon decomposition)
Stability Stable at pH 3–5; decomposes at pH >8 or elevated temperatures

3.3 Decomposition Reactions

Condition Reaction Products
High temperature (>60°C) [P(CH₂OH)₄]₂SO₄ → Degradation Formaldehyde, phosphoric acid derivatives
Alkaline pH (>8) Rapid decomposition Tris(hydroxymethyl)phosphine oxide (THPO), formaldehyde
Biological degradation Aerobic/anaerobic breakdown CO₂, H₂O, phosphate, sulfate

4. Antimicrobial Mechanism

4.1 Mode of Action

Step Description
1 THPS penetrates microbial cell walls/membranes
2 Reacts with intracellular proteins (thiol groups –SH)
3 Causes protein denaturation and enzyme inactivation
4 Disrupts cellular functions → cell death
5 Degrades to non-toxic phosphonic acid derivatives in environment

4.2 Antimicrobial Spectrum

Microorganism Type Efficacy Typical Concentration
Bacteria (Gram-positive) High 10–100 ppm
Bacteria (Gram-negative) High 10–100 ppm
Sulfate-reducing bacteria (SRB) Very High 10–50 ppm
Fungi Moderate–High 50–200 ppm
Algae Moderate 50–150 ppm
Biofilm-forming bacteria High 50–150 ppm

4.3 Comparison with Other Biocides

Property THPS Glutaraldehyde Isothiazolinone DBNPA
Efficacy vs SRB Excellent Good Moderate Good
Biodegradability Excellent Moderate Low High
Aquatic toxicity Low Moderate High Moderate
Formaldehyde release Low (potential) None None None
pH stability range 3–8 4–9 4–8 5–8
Temperature stability Good (<60°C) Good Good Moderate
Corrosivity Low Low Low Moderate

5. Production Method

5.1 Synthesis Route

Step Reaction Description
1 P(OCH₃)₃ + 4CH₂O + H₂O → [P(CH₂OH)₄]⁺ + by-products Trimethyl phosphite reacts with formaldehyde
2 2[P(CH₂OH)₄]⁺ + H₂SO₄ → [P(CH₂OH)₄]₂SO₄ + 2H⁺ Neutralization with sulfuric acid to form sulfate salt

5.2 Process Parameters

Parameter Value
Reaction temperature 30–50°C (controlled)
pH control Maintained during neutralization
Final concentration Adjusted to 75% w/w
By-products Methanol (recovered), water
Yield >90%

6. Quality Specifications (75% Solution)

Parameter Specification
Appearance Clear to slightly hazy, colorless to pale yellow liquid
THPS content (w/w) 75 ± 1%
pH (as is) 3.0–5.0
Density (20°C) 1.35–1.40 g/cm³
Refractive index (nD20) 1.420–1.430
Free formaldehyde ≤ 0.1%
Chloride (Cl) ≤ 0.1%
Phosphorous acid (H₃PO₃) ≤ 0.5%
Heavy metals (as Pb) ≤ 10 ppm
Iron (Fe) ≤ 10 ppm

7. Industrial Applications – Water Treatment

7.1 Cooling Water Systems

Parameter Value
Application Microbiological control (biofilm, algae, bacteria, SRB)
Typical dosage (continuous) 10–50 ppm (active THPS)
Shock dosing 50–150 ppm (2–4 hours)
pH range 4–8 (optimal)
Temperature range 0–60°C
Compatibility Compatible with most corrosion inhibitors (phosphonates, azoles, zinc)

7.2 Oil and Gas Field Applications (Primary Use)

Parameter Value
Application Control of sulfate-reducing bacteria (SRB) in water injection systems, produced water, drilling fluids
SRB control dosage 10–50 ppm
Biofilm removal 50–150 ppm
Advantages Rapid kill time (minutes to hours), biodegradable, non-persistent
Injection water compatibility Compatible with seawater, produced water, formation brines

7.3 Paper Industry

Parameter Value
Application Microbial control in process water, paper machine deposits
Typical dosage 10–100 ppm
Benefits Reduces slime formation, improves paper quality, reduces downtime

7.4 Wastewater Treatment

Parameter Value
Application Odor control (H₂S), microbial control in collection systems
Typical dosage 10–50 ppm
H₂S reduction Effective (by controlling SRB)

8. Industrial Applications – Flame Retardant Textiles

8.1 Application Details

Parameter Value
Application Flame retardant finish for cotton, cotton blends, and cellulosic fabrics
Mechanism THPS reacts with cellulose and ammonia to form durable flame retardant polymer
Process THPS + urea/ammonia → crosslinked polymer on fabric
Typical add-on 15–25% weight gain
Flame retardancy standard BS 5852, NFPA 701, EN 470-1

8.2 Advantages as Flame Retardant

  • Durable finish (withstands multiple washes)

  • No toxic halogen compounds (halogen-free)

  • Low smoke generation

  • Does not significantly affect fabric hand feel

9. Industrial Applications – Leather Processing

Parameter Value
Application Biocide in leather tanning and preservation
Typical dosage 0.1–0.5% (on weight of hide)
Benefits Prevents bacterial degradation of hides during soaking and bating

10. Environmental Fate and Biodegradation

10.1 Biodegradation Data

Parameter Value
Ready biodegradability (OECD 301) Readily biodegradable (>60% in 28 days)
Ultimate degradation products CO₂, H₂O, phosphate, sulfate
Half-life in water (aerobic) Hours to days
Half-life in sediment 1–10 days
Bioaccumulation potential Low (log Kow <0)

10.2 Aquatic Toxicity

Parameter Value
Fish (LC₅₀, 96 hours) 10–50 mg/L (moderate toxicity)
Daphnia magna (EC₅₀, 48 hours) 10–40 mg/L
Algal toxicity (EC₅₀, 72 hours) 5–25 mg/L
Aquatic toxicity classification H411 (Toxic to aquatic life with long-lasting effects) – but rapidly degrades

11. Safety and Toxicology

11.1 Acute Toxicity

Parameter Value
Oral LD₅₀ (rat) 1,200–2,000 mg/kg (moderate toxicity)
Dermal LD₅₀ (rabbit) >2,000 mg/kg
Inhalation LC₅₀ (rat, 4 hours) >5 mg/L (dust/mist)
Skin irritation Mild to moderate irritant
Eye irritation Moderate to severe irritant
Skin sensitization Non-sensitizer (typical)

11.2 Chronic Toxicity

Parameter Value
Mutagenicity Negative (Ames test)
Carcinogenicity Not classified (IARC Group 3)
Reproductive toxicity NOAEL = 100 mg/kg/day (animal studies)
Formaldehyde release concern Minimal at normal use conditions; potential at elevated temperatures or alkaline pH

11.3 Occupational Exposure Limits

Authority Limit Type
ACGIH (for formaldehyde, potential release) 0.3 ppm (ceiling) As formaldehyde
Supplier recommended limit 1 mg/m³ (as THPS) TWA (8 hour)

12. Safety Precautions and Personal Protective Equipment (PPE)

  • Hazards:

    • Causes skin and eye irritation

    • Harmful if swallowed

    • Decomposes at high temperature or alkaline pH to release formaldehyde (suspected carcinogen)

  • Reactivity:

    • Incompatible with strong alkalis (rapid decomposition)

    • Incompatible with strong oxidizing agents

    • Stable in acidic to neutral pH (3–7)

  • PPE (recommended):

    • Chemical-resistant gloves (nitrile or neoprene, EN 374)

    • Safety goggles with side shields (EN 166)

    • Protective clothing (acid-resistant)

    • Respiratory protection (if mist present – P2 filter)

  • Engineering controls:

    • Local exhaust ventilation (LEV) for mist control

    • Eyewash stations and safety showers

  • First aid:

    • Inhalation: Move to fresh air; if breathing difficulty, administer oxygen; seek medical attention

    • Skin contact: Wash with soap and copious water for 15 minutes; remove contaminated clothing

    • Eye contact: Rinse with water for 15–20 minutes, lifting eyelids; seek immediate medical attention

    • Ingestion: Rinse mouth; do NOT induce vomiting; drink water or milk; seek medical attention

13. Storage and Shelf Life

  • Storage conditions:

    • Cool, dry, well-ventilated area (10–30°C)

    • Keep tightly closed in original packaging (HDPE or plastic containers)

    • Protect from direct sunlight and heat sources

    • Protect from freezing (can freeze at -20°C; thaw and mix before use)

    • Store away from strong alkalis and oxidizing agents

    • Do not store near food or feed

  • Shelf life:

    • Unopened container: 12–24 months

    • Opened container: 6 months (if properly resealed, protected from contamination)

  • Degradation indicators:

    • Darkening of color (yellow to brown)

    • Formaldehyde odor (decomposition)

    • pH change (increase indicates degradation)

14. Transport Information

Regulation Classification
UN Number 1760 (Corrosive liquid, n.o.s.)
ADR/RID Class 8 (Corrosive), Packing group III
IMDG Class 8, PG III
IATA Class 8, PG III
Proper shipping name Corrosive liquid, n.o.s. (tetrakis(hydroxymethyl)phosphonium sulfate)
Hazard label Corrosive (8)
Marine pollutant No (but aquatic toxicity noted)

15. Synonyms and Common Names

  • English: Tetrakis(hydroxymethyl)phosphonium sulfate, THPS, Tetrakis Hydroxymethyl Phosphonium Sulfate, Octakis(hydroxymethyl)diphosphonium sulfate, Bis[tetrakis(hydroxymethyl)phosphonium] sulfate

  • Common abbreviations: THPS, THPS 75%, THPS75%

  • Common industry names: Biocide, Microbiocide, Flame retardant chemical, Oilfield chemical, Cooling tower biocide

  • Turkish: Tetrakis Hidroksimetil Fosfonyum Sülfat, THPS, Tetrakis hidroksi metil sülfat

16. Standards Compliance

Standard Compliance
REACH (EC 1907/2006) Registered
TSCA (US) Listed
RoHS Compliant (no restricted substances)
BPR (EU Biocidal Products Regulation) Active substance under review for certain product types
NSF/ANSI 60 Certified for certain grades (drinking water treatment)

17. Why Choose THPS? (Technical Summary)

Advantage Description
Excellent SRB control Highly effective against sulfate-reducing bacteria in oilfield water injection systems
Rapid kill time Minutes to hours vs. hours to days for some alternatives
Biodegradable Readily biodegradable (>60% in 28 days) – environmentally friendly
Low toxicity profile Lower toxicity than glutaraldehyde, isothiazolinones, and many alternative biocides
Non-persistent Degrades rapidly in the environment – does not bioaccumulate
Dual functionality Biocide + flame retardant + H₂S scavenger
Halogen-free flame retardant No toxic halogens (bromine, chlorine) – low smoke, durable finish
Corrosion compatibility Non-corrosive to common metals at use concentrations
Effective at low dosages 10–50 ppm for most applications
Stable under acidic conditions Excellent stability at pH 3–5; usable at pH 3–8
Limitation note: Decomposes at alkaline pH (>8) and elevated temperatures (>60°C) – potential formaldehyde release. Requires proper handling PPE.

18. Limitations and Precautions

Limitation Description / Solution
Alkaline pH instability Decomposes rapidly at pH >8 (releases formaldehyde) – avoid in alkaline systems without testing
High temperature degradation Decomposes above 60°C (accelerated) – do not use in high-temperature systems
Potential formaldehyde release Under decomposition conditions (heat, alkali) – ensure adequate ventilation
Eye and skin irritant Use appropriate PPE (goggles, gloves, protective clothing)
Aquatic toxicity (concentrated) Avoid direct discharge to water bodies (toxic at high concentrations)
Limited organic solvent solubility Not effective in hydrocarbon-based systems (use water-based applications)

19. Application Guidelines

19.1 Cooling Water Treatment

Parameter Recommendation
Typical dosage 10–50 ppm continuous; 50–150 ppm shock
Feeding method Direct injection via metering pump
Monitoring Residual concentration (colorimetric or HPLC)

19.2 Oilfield Water Injection

Parameter Recommendation
Typical dosage 10–50 ppm (based on water flow)
Contact time Minimum 30–60 minutes
Compatibility testing Required with produced water, formation brine, and other additives

19.3 Flame Retardant Textile Treatment

Parameter Recommendation
THPS concentration 10–20% in pad bath
Application method Pad-dry-cure process
Curing temperature 150–170°C
Ammonia treatment Required for durable finish

20. Sectoral Suitability Summary Table

Sector Application Typical Dosage Alternatives
Water Treatment Cooling tower biocide, biofilm control 10–50 ppm (continuous) Glutaraldehyde, DBNPA, isothiazolinones
Oil & Gas SRB control in water injection, produced water 10–50 ppm Glutaraldehyde, DBNPA, tetrakis(hydroxymethyl)phosphonium chloride (THPC)
Textile Flame retardant finish for cotton 10–20% pad bath THPC, phosphonium salt derivatives, halogenated FRs
Paper Industry Slime control, microbial deposits 10–100 ppm Isothiazolinones, glutaraldehyde
Leather Processing Hide preservation (soaking, bating) 0.1–0.5% (on weight of hide) Bronopol, isothiazolinones
Wastewater Odor control (H₂S), SRB control 10–50 ppm Nitrate injection, chlorine dioxide
Drilling Fluids Biocide for drilling muds 50–200 ppm Glutaraldehyde, THPC
Industrial Water Closed loop systems, process water 10–50 ppm Isothiazolinones, bronopol
Gas Storage Microbiological control in gas storage wells 10–100 ppm Glutaraldehyde, THPC

This TDS is prepared in compliance with ISO 11014-1 format and is intended for water treatment specialists, oilfield chemical engineers, textile chemists, paper industry professionals, leather processors, and procurement professionals. Certificates of Analysis (CoA), Safety Data Sheets (SDS), biocide efficacy test reports, and sample validation reports are available upon request.

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