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Purified Terephthalic Acid

    • Product Name: Purified Terephthalic Acid
    • Factroy Site: Yudu County, Ganzhou, Jiangxi, China
    • Price Inquiry: admin@ascent-chem.com
    • Manufacturer: Ascent Petrochem Holdings Co., Limited
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    Specifications
    HS Code
    Chemical Name Purified Terephthalic Acid
    Iupac Name Benzene-1,4-dicarboxylic acid
    Chemical Formula C8H6O4
    Molecular Weight 166.13 g/mol
    Cas Number 100-21-0
    Appearance White crystalline powder
    Odor Odorless
    Purity ≥99.9%
    Density 1.51 g/cm³ at 20 °C
    Bulk Density 0.8–1.0 g/cm³
    Melting Point >300 °C (decomposes/sublimes)
    Boiling Point 402 °C (sublimes)
    Solubility In Water Slightly soluble (about 0.0015 g/100 mL at 20 °C)
    Solubility In Organic Solvents Soluble in dimethyl sulfoxide and dimethylformamide; slightly soluble in common organic solvents
    Ph 2.5–3.5 (aqueous suspension)
    Flash Point >260 °C
    Autoignition Temperature 496 °C
    Acid Number 675–678 mg KOH/g
    Moisture Content ≤0.2%
    Ash Content ≤10 ppm
    Particle Size 20–150 µm
    Storage Conditions Store in a cool, dry, well-ventilated area away from oxidizers

    As an accredited Purified Terephthalic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Packaging: 25 kg polyethylene-lined woven bags, or 1,000 kg jumbo bags, palletized and stretch-wrapped for industrial transport.
    Container Loading (20′ FCL) Container loading for Purified Terephthalic Acid in 20′ FCL: usually 20–22 MT, packed in jumbo or 25 kg bags, floor-stowed.
    Shipping Purified Terephthalic Acid (PTA) is shipped as a white crystalline powder in 500–1,000 kg FIBC bulk bags, lined bulk trucks, rail hopper cars, or dry-bulk containers. It is generally nonhazardous but must be kept dry and clean, away from moisture, strong oxidizers, and ignition sources to prevent dust issues.
    Storage Store purified terephthalic acid in a cool, dry, well-ventilated area, away from direct sunlight and heat. Keep containers tightly closed and palletized off the floor. Isolate from strong oxidizers, acids, bases, and ignition sources. Prevent dust generation and accumulation; use grounding/bonding and explosion-proof equipment because PTA dust is combustible. Protect from moisture and contamination.
    Shelf Life Purified Terephthalic Acid typically has a 12-month shelf life when kept dry, cool, and well-ventilated, away from moisture and heat.
    Application of Purified Terephthalic Acid

    The dominant global sink for purified terephthalic acid remains bottle-grade poly(ethylene terephthalate) (PET) for stretch blow-moulded beverage packaging. Feedstock quality requirements are transferred directly from continuous polymerization economics: carboxyl end-group (CEG) values in PTA feedstock, 4-carboxybenzaldehyde content below 25 mg/kg, and colour L* coordinates above 92 must be maintained to limit chain transfer and acetaldehyde precursor formation. The food-contact resin is conditioned by FDA 21 CFR 177.1630 for PET and by EU Commission Regulation (EU) No 10/2011 for plastic materials intended for food contact, with overall migration tested under EN 1186-1:2002; acetaldehyde migration is routinely verified by headspace gas chromatography according to ASTM F2013-10. Formulation control is expressed as molar feed ratio: ethylene glycol is charged at 1.15:1 to 1.4:1 relative to PTA, corresponding to about 43–52 parts ethylene glycol per 100 parts PTA by mass; antimony trioxide catalyst is added at 0.02–0.05 wt% of polycondensation mass, and phosphorus-based stabilizers at 0.005–0.02 wt% as P. The production train comprises slurry preparation in agitated vessels, esterification at 240–260 °C and 1.0–2.5 bar gauge, pre-polycondensation at 270–280 °C under 10–20 kPa absolute, finisher polycondensation at 280–285 °C under 0.1–0.5 kPa absolute, and solid-state polymerization (SSP) at 200–210 °C under vacuum or nitrogen to raise intrinsic viscosity from 0.62–0.68 dL/g to 0.80–0.84 dL/g when measured in 60/40 phenol/1,1,2,2-tetrachloroethane at 25 °C per ASTM D4603. The high-IV resin is then preform injection-moulded at 270–280 °C and stretch blow-moulded into carbonated soft drink bottles, still water bottles, and heat-set containers for pasteurised beverages. Residual acetaldehyde is held below 0.5 ppm for water-grade resin and 3 ppm for carbonated soft drink preforms.

    PET outletIntrinsic viscosity (dL/g)CEG limit (mmol/kg)DEG (wt%)
    Bottle-grade resin after SSP0.80–0.84≤251.0–1.5
    Textile staple/filament0.62–0.68≤300.7–1.2
    BOPET film0.62–0.66≤200.7–1.0

    How Does Melt Viscosity Control Industrial Polyester Fibre Spinning?

    For polyester staple fibre lines operating at 50–150 t/day, the practical ceiling for PTA melt viscosity is set by spinneret pack pressure and stringing interruption frequency. Textile-grade continuous polymerization uses an ethylene glycol/PTA molar feed ratio of 1.15:1 to 1.25:1; the slightly lower excess than bottle-grade resin limits diethylene glycol formation to 0.7–1.2 wt%, which in turn preserves dye uptake uniformity. Titanium dioxide delustrant is added as a predispersed ethylene glycol slurry at 0.0 wt% for bright fibre, 0.3–0.5 wt% for semi-dull, and 1.0–1.5 wt% for full-dull, with particle agglomerates controlled via 20–40 µm filtration media. The polymer melt is delivered from finisher vessels at 285–290 °C with intrinsic viscosity 0.62–0.68 dL/g; spinning packs use 8–12 MPa pack pressure and quench air at 0.4–0.8 m/s. Filament winding speeds for partially oriented yarn are typically 2,500–3,200 m/min, while drawn yarn is produced with draw ratios of 3.2–4.1. Industry conformity for textile intermediates is demonstrated through ISO 1133-1:2022 melt flow rate, ASTM D2256 tensile testing, and OEKO-TEX Standard 100 certification for skin-contact textile raw materials. The dominant terminal articles are ring-spun and open-end spun staple fibre for apparel blend yarns, needlepunched nonwovens, and continuous filament for sports and leisure fabrics. In humid production sites, chip drying to ≤30 ppm moisture is mandatory before melt spinning because hydrolytic chain scission above 180 °C shifts viscosity downward during extruder residence.

    Biaxially Oriented PET Film: Carboxyl End-Group Limits and Extrusion Casting

    BOPET film grades demand lower carboxyl end-group and lower amorphous oligomer content than bottle resin because transient gel particles at the die lip produce visible casting defects. PTA feedstock with 4-carboxybenzaldehyde below 20 mg/kg and CEG in final polymer below 20 mmol/kg is preferred; extrusion-grade PET is typically formulated at an ethylene glycol/PTA molar ratio of 1.15:1 to 1.30:1, with intrinsic viscosity of 0.62–0.66 dL/g measured per ASTM D4603. Silica anti-block masterbatch is metered separately at 0.1–0.3 wt% for packaging film, while capacitor film typically omits particulate fillers and relies on pure polymer morphology. The production route is cast extrusion at 275–285 °C through a slot die onto a 15–30 °C quench drum, followed by sequential biaxial stretching: machine-direction draw at 80–90 °C and transverse-direction draw at 100–110 °C, then heat-setting at 220–230 °C. Electrical insulation film is qualified according to IEC 60674-3-3; mechanical properties are tested under ASTM D882; food-contact film complies with EU Commission Regulation (EU) No 10/2011 and FDA 21 CFR 177.1630. Terminal output includes metallised capacitor films, flexible packaging laminates, thermal transfer ribbon substrates, and graphic arts base film.

    In continuous polybutylene terephthalate synthesis, 1,4-butanediol loss to tetrahydrofuran introduces a stoichiometric constraint not encountered in PET. Direct esterification of PTA with 1,4-butanediol is operated at a BDO/PTA molar feed ratio of 1.2:1 to 1.6:1, with tetrabutyl titanate or titanium/tin mixed catalysts at 0.05–0.1 wt% based on total monomers; the excess BDO compensates for tetrahydrofuran formation, which typically consumes 4–6 mol% of charged BDO at 230–240 °C. Polycondensation proceeds at 250–260 °C and pressures below 1 mbar absolute until intrinsic viscosity reaches 0.80–1.10 dL/g for neat resin grades. Compounded PBT is reinforced with glass fibre at 20–30 wt%, sometimes in combination with 10–20 wt% mineral filler for warpage control. Halogen-free flame-retarded grades must pass UL 94 V-0 at 0.8 mm and glow-wire testing under IEC 60695-2-11 at 750–850 °C; electrical and electronic components are also assessed for RoHS 2011/65/EU and REACH Article 33 declarations. Hydrolytic stability is a recognised boundary condition: exposure to hot, humid environments above 80 °C in the presence of trace alkalinity accelerates ester bond cleavage, so hydrolysis-resistant grades are specified for automotive under-hood connectors. Terminal articles include automotive wiring harness connectors, EV charging interfaces, relay housings, and appliance control modules.

    DOTP Plasticizer Production via Direct Esterification with 2-Ethylhexanol

    Purified terephthalic acid is a direct precursor to bis(2-ethylhexyl) terephthalate, the non-phthalate plasticizer used in PVC compounds where reproductive toxicity restrictions exclude ortho-phthalates. The esterification train charges 2-ethylhexanol at a molar ratio of 2.5:1 to 3.0:1 relative to PTA; organotitanate catalyst is added at 0.1–0.3 wt% of PTA mass, and reflux is maintained at 170–190 °C under reduced pressure or with a light solvent azeotrope to remove water. Reaction is terminated when acid value falls below 0.05 mg KOH/g; neutralization with dilute alkali, water washing, steam stripping at 140–160 °C and 2–5 kPa absolute, and filtration through 1–5 µm media follow. The distilled plasticizer typically exhibits ester content above 99.5%, density 0.984–0.986 g/cm³ at 20 °C, and water content below 0.05 wt%. Industry compliance for flexible PVC applications is demonstrated by REACH Annex XVII entry 51 exclusion status for phthalate restrictions, EN 71-3 migration testing for toy safety, and RoHS 2011/65/EU for electronic cable insulation. Terminal products include automotive wire harness insulation, appliance wiring, vinyl flooring wear layers, and artificial leather coatings. In high-temperature cable compounds, lower plasticizer volatility relative to DOP is exploited, but formulation limits generally cap DOTP content at 45–55 wt% of the PVC compound to maintain tensile strength and extraction resistance.

    When PTA Replaces Phthalic Anhydride in Saturated Polyester Resin for Powder Coatings

    Saturated polyester powder coatings formulated from PTA exhibit higher glass transition temperatures and slower hydrolysis than resins based solely on phthalic anhydride, but condensation water yield and reflux management require azeotropic solvent control. In a carboxyl-functional resin for β-hydroxyalkylamide curing, PTA typically constitutes 55–75 mol% of the acid fraction, with the balance supplied by trimellitic anhydride or adipic acid; neopentyl glycol is charged at 1.05–1.20 equivalents per acid equivalent, and trimethylolpropane may be included at 0.5–2.0 mol% of total polyol to raise branching. Polycondensation proceeds in stainless steel reactors at 220–240 °C with xylene reflux to strip water, followed by vacuum stripping at 0.05–0.09 MPa absolute until acid value reaches 30–50 mg KOH/g and softening point reaches 95–110 °C. The resin is flaked, ground, and formulated with crosslinkers at 5–8 wt% before twin-screw extrusion at 90–110 °C and jet-milling to D50 25–35 µm. Coating performance is qualified under ISO 8130-1:2019 for particle size distribution, ASTM D2794 impact resistance, and Qualicoat Class 1 or AAMA 2604 specifications for architectural thermosetting finishes. Terminal articles include architectural aluminium extrusions, automotive alloy wheels, and domestic appliance panels.

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    Certification & Compliance
    More Introduction

    Purified terephthalic acid (PTA, CAS 100-21-0, C₈H₆O₄, relative molecular mass 166.13 g/mol) is the dominant aromatic dicarboxylic monomer used in polyethylene terephthalate (PET) synthesis. The commercial product is supplied as a white crystalline powder under the designation polymerization-grade PTA; no separate fiber-grade, bottle-grade, or film-grade PTA specification is normally assigned at the monomer stage. Continuous air oxidation of p-xylene in acetic acid at 150–205 °C and 1.5–3.0 MPa in the presence of a cobalt/manganese/bromine catalyst yields crude terephthalic acid (CTA). The crude acid is then dissolved in water, catalytically hydrogenated over a fixed-bed palladium-on-carbon catalyst to convert 4-carboxybenzaldehyde (4-CBA) to p-toluic acid, and purified by crystallization, centrifugation, and drying. The overall oxidation chemistry is C₆H₄(CH₃)₂ + 3 O₂ → C₆H₄(COOH)₂ + 2 H₂O; industrial operation is staged because the under-oxidized intermediates p-toluic acid and 4-CBA require separate oxidation and purification control. PTA has low aqueous solubility and a sublimation/decomposition range above 300 °C, so it is handled as a dry granular solid rather than as a melt. Its principal use is continuous esterification with monoethylene glycol to bis(2-hydroxyethyl) terephthalate, followed by vacuum polycondensation with antimony, titanium, or germanium catalyst systems to PET for fibers, packaging, and biaxially oriented films.

    Feedstock Purity Boundaries for Continuous PET Polycondensation

    PTA certificate-of-analysis parameters are not arbitrary; each maps to a downstream polymerization defect. The specification table below reflects representative commercial release data for polymerization-grade PTA. 4-CBA is the critical impurity because it is monofunctional and terminates chain extension while introducing an aldehydic carbonyl that can oxidize to a yellow chromophore during melt processing. p-Toluic acid, also monofunctional, reduces the attainable number-average molecular weight and must be controlled independently. Moisture above 0.20 wt% alters esterification stoichiometry and can cause caking in silos. Residue on ignition is a marker for cobalt/manganese/bromine catalyst residues and corrosion products; elevated ash values destabilize melt viscosity and can increase filter pressure in PET melt filtration. Mean particle size D50 is set for consistent slurry preparation and gravimetric feeder accuracy.

    ParameterTypical specification rangeTest method
    PTA purity, dry basis≥ 99.7 wt%High-performance liquid chromatography, internal release method
    4-Carboxybenzaldehyde≤ 25 mg/kgASTM D7884
    p-Toluic acid≤ 150 mg/kgASTM D7884
    Water≤ 0.20 wt%ISO 760
    Residue on ignition≤ 15 mg/kgCombustion at 800 °C
    Color b*≤ 1.5ISO 11664-4
    Mean particle size D50110–160 µmISO 13320:2020

    In continuous PET lines, 4-CBA above 25 mg/kg is associated with an upward shift in yellowness index measured by ASTM E313 and a reduction in the maximum degree of polymerization achievable at fixed solid-state residence time. The hydrogenation purification route is the main quality difference from CTA: CTA typically contains 4-CBA in the range 1000–5000 mg/kg, making it unsuitable for direct PET polymerization without purification. The fixed-bed hydrogenation step selectively reduces the aldehyde group of 4-CBA to p-toluic acid; the p-toluic acid is then separated in crystallization and wash steps because it is more soluble in the mother liquor than terephthalic acid under the selected temperature profile. Published data for the exact partition coefficient at industrial crystallization temperature is limited, but commercial operation relies on this solubility gap to achieve release limits.

    What technical grounds justify PTA over dimethyl terephthalate in modern continuous lines?

    PTA and dimethyl terephthalate (DMT) are both terephthalate monomers, but they differ in chemical form, purification route, and plant integration. PTA direct esterification generates water as the condensation byproduct; DMT transesterification generates methanol. A continuous PTA-based PET line using a monoethylene glycol-to-PTA molar ratio of 1.15:1 to 1.40:1 operates esterification at 240–270 °C and polycondensation at 270–285 °C under vacuum below 2 mbar. Direct esterification is autocatalytic on the acid group, whereas DMT requires a transesterification catalyst such as zinc or manganese acetate. DMT is purified by distillation and is supplied as a melt or flake with a melting point of 140.6 °C; PTA purification relies on hydrogenation and crystallization and yields a solid with sublimation/decomposition above 300 °C. The elimination of methanol recovery and its associated steam load is the principal process advantage for PTA in large-scale PET plants; DMT retains use in existing and specialty polyester processes where melt feeding or transesterification chemistry is specified.

    Comparison criterionPurified terephthalic acidCrude terephthalic acidDimethyl terephthalate
    Functional formFree diacidFree diacidDimethyl ester
    4-CBA content≤ 25 mg/kgTypically 1000–5000 mg/kgNot applicable
    Thermal behaviorSublimes/decomposes above 300 °CSimilar to PTA but lower purityMelting point 140.6 °C
    Primary synthesis byproductWaterWater plus 4-CBA and color bodiesMethanol
    Continuous PET process integrationDirect esterification; autocatalyticRequires purification before useTransesterification with added catalyst

    In modern continuous PET plants, PTA is preferred not because it is intrinsically more reactive, but because the direct esterification route avoids methanol recovery and allows higher esterification train throughput. However, PTA requires more aggressive slurry and paste handling than liquid DMT; PTA particle size and slurry viscosity must be managed in paste tanks. Published plant-economics data for new world-scale PET lines support PTA as the primary feedstock for melt-phase and solid-state polymerization, while DMT remains relevant for specific specialty polyester configurations where distillation-based purity and melt feeding are decisive.

    When 4-CBA and Ash Exceed Specification in Continuous Solid-State Polymerization

    Bottle-grade PET is usually finished by solid-state polymerization (SSP) at 200–220 °C under nitrogen or vacuum to reach intrinsic viscosity 0.80–0.85 dL/g. In SSP, polymer chains extend in the amorphous region; any monofunctional impurity that caps a chain end limits the molecular weight plateau at constant residence time. A PTA lot with 4-CBA at or below 25 mg/kg is considered acceptable for SSP bottle-grade production. When 4-CBA increases above 25 mg/kg, the same SSP residence time may yield a lower intrinsic viscosity, and compensation by longer residence time increases acetaldehyde formation and thermal degradation. Ash above 15 mg/kg is associated with higher filter pressure during melt extrusion and can increase preform haze; however, published data for a fixed quantitative relationship between PTA ash and filter life in specific SSP configurations is limited. The operational boundary is therefore a release limit rather than a process optimization target.

    PTA particle size distribution is a process variable that affects slurry viscosity in the paste loop, esterification mass transfer, and gravimetric feeder accuracy. Commercial polymerization-grade PTA is commonly specified with D50 in the range 110–160 µm by laser diffraction per ISO 13320:2020. A shift in D50 of more than 15 µm between silo lots has been reported in continuous PET feeding audits as a cause of feed-rate fluctuation in loss-in-weight feeders. Bulk solids shear testing per ASTM D6128 is used to determine hopper half-angle and outlet diameter for mass flow. PTA dust is classified as a combustible organic powder under NFPA 652; dust hazard analysis applies to baghouses, silos, and pneumatic conveying lines, and all conductive equipment should be bonded and grounded. Moisture above 0.20 wt% or ambient relative humidity above 60% can promote cohesive caking at hopper outlets; conveying air should be dried to a dew point of −20 °C or lower in humid plant environments.

    Bulk PTA is unloaded from hopper trucks and railcars by dense-phase or vacuum pneumatic conveying into silos. Field experience indicates that rotary valve leakage and vibratory hopper sticking become more likely when material moisture exceeds 0.20 wt% or when the silo is operated without dry-air purge. Silos should be equipped with vent filters rated for combustible dust service and should not be located adjacent to strong alkalis, amines, or hot surfaces above 150 °C. Fiber-grade, bottle-grade, and film-grade PET are differentiated after melt polymerization by intrinsic viscosity, comonomer content, and solid-state conditions. Typical target intrinsic viscosity is 0.62–0.68 dL/g for staple fiber and filament, 0.80–0.85 dL/g for bottle-grade PET after SSP, and 0.58–0.70 dL/g for biaxially oriented film. The PTA specification remains polymerization-grade across these applications; downstream manufacturers adjust isophthalic acid comonomer content, catalyst type, and thermal history instead of changing PTA model. Specialty outlets for PTA include polyester polyols, where diacid purity and low monofunctional acid content determine hydroxyl number response and prepolymer viscosity stability, but published data for this configuration is less extensive than for mainstream PET.

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