| HS Code | 455606 |
| Chemical Name | Toluene |
| Cas Number | 108-88-3 |
| Molecular Formula | C6H5CH3 |
| Molecular Weight | 92.14 g/mol |
| Purity | 99.85% |
| Water Content | <50 ppm |
| Boiling Point | 110.6 °C |
| Melting Point | -95 °C |
| Flash Point | 4 °C |
| Density | 0.865 g/mL at 25 °C |
| Refractive Index | 1.495 |
| Appearance | Clear colorless liquid |
As an accredited Toluene, 99.85%, Extra Dry, AcroSeal™, Thermo Scientific (Acros Organics) factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Supplied in a 1 L AcroSeal™ bottle, sealed under inert atmosphere to protect the extra dry, 99.85% toluene from moisture and air. |
| Container Loading (20′ FCL) | 20′ FCL loading: Toluene, 99.85%, in sealed UN-approved drums, palletized, secured, with hazardous/flammable labels, ventilation, and blocking. |
| Shipping | Toluene, 99.85%, Extra Dry, AcroSeal™ is a flammable liquid (Class 3, UN1294, PG II) requiring hazardous materials shipping. Its AcroSeal™ packaging preserves anhydrous integrity, but shipment must comply with IATA/IMDG/ADR regulations, including proper labeling, segregation from oxidizers, and approved containers. Ground transport available; air freight restricted due to flash point and packaging requirements. |
| Storage | Store in a tightly sealed original AcroSeal™ container in a cool, dry, well-ventilated area, away from heat, sparks, open flames, and strong oxidizers. Keep protected from moisture to maintain extra-dry quality. Do not expose to direct sunlight; handle and dispense under inert atmosphere when possible. |
| Shelf Life | Shelf life is typically 5 years from the production date when stored unopened under recommended conditions. |
In organolithium-initiated solution polymerisation trains producing styrene-butadiene rubber (SSBR), the solvent feed is not merely a viscosity modifier; it determines initiator survival, vinyl content, and batch-to-batch Mooney consistency. Toluene, 99.85%, Extra Dry, AcroSeal™, Thermo Scientific (Acros Organics) is normally introduced into the purified solvent surge loop at 75–88 wt% of the total feed, with combined styrene and butadiene charge held between 12–25 wt%. Butyllithium addition is modulated within 0.8–2.5 mmol/kg monomer depending on target molecular weight, and the reactor temperature is controlled between 40–80°C. Plant-scale units using 10–25 m³ jacketed stirred reactors with internal coil cooling report that solvent moisture above the lot-specific Karl Fischer limit produces a non-linear drop in active initiator concentration during the initial polymerisation exotherm; the resulting Mooney viscosity can shift by several units and the vinyl microstructure can drift outside the prescribed 1,2-vinyl window when modifier-to-initiator ratios are no longer accurate.
Process water is removed before polymerisation by passing the solvent through activated alumina and 3A molecular sieves, but headspace moisture intrusion during drum sampling can override that purification step. The AcroSeal closure is applied in production campaigns to limit repeated-opening moisture ingress; nevertheless, operators re-titrate each lot by coulometric Karl Fischer analysis before charging. Compliance validation for the finished SSBR typically references ASTM D412-16 tensile properties, ISO 289-1:2018 Mooney viscosity, ISO 1133-1:2022 melt-flow characterisation for downstream compounding, and, where food-contact or medical packaging grades are manufactured, 21 CFR 177.1810 or equivalent regional food-contact approvals. Terminal products include fuel-efficient tire tread compounds, vibration-damping engine mounts, conveyor belt covers, and oil-resistant compounding bases; each uses the toluene-derived polymer as a raw gum feed rather than as a formulated solvent.
Residual water in a multi-step API synthesis can hydrolyse acid chlorides, magnesium or lithium reagents, and moisture-sensitive protecting groups; toluene serves as a heterogeneous entrainer because it forms a minimum-boiling azeotrope at 84.1°C at 1 atm, with water partitioning into the organic phase and separating after condensation. The charge ratio on production campaigns typically falls between 0.8–2.0 kg toluene per kg of reaction mass when the system water content exceeds 0.2 wt%, though the exact ratio is set by the Dean-Stark trap volume and the required final moisture endpoint. In a standard 5,000–10,000 L glass-lined or stainless reactor, the azeotrope is refluxed through an overhead total condenser and an automatic liquid-liquid separator; toluene is returned to the reactor while the water-rich lower phase is removed. The same distillate loop can be configured for constant-pressure vacuum stripping at 40–60°C after reaction quench, reducing thermal stress on heat-sensitive intermediates.
Residual solvent control is governed by ICH Q3C(R8), which assigns toluene to Class 2 with a permitted daily exposure of 8.9 mg/day and a concentration limit of 890 ppm in finished drug product; USP <467> Option 1/2 methods are used for release testing. Equipment cleaning validation follows 21 CFR 211.67, and API manufacturing is performed under EU GMP Part II when the toluene-based step feeds finished active pharmaceutical ingredient. The terminal output includes moisture-sensitive intermediates, amide/ester coupling products, and APIs requiring azeotropic water removal before crystallisation or salt formation. Field data from contract API plants show that poor interface control in the separator leads to toluene carryover into the water phase and variable reflux ratios, which is why automated interface skimming and mass balance on the azeotrope return line are standard engineering controls.
In high-Tg polyimide film casting, polyamic acid solutions typically enter the imidisation oven carrying 15–25 wt% solids in a polar aprotic solvent such as N,N-dimethylacetamide or N-methyl-2-pyrrolidone. A low-water aromatic co-solvent is often added as an azeotroping agent to remove condensation water at the 130–160°C imidisation plateau before the film reaches the 250–350°C final cure zone. Toluene, 99.85%, Extra Dry, AcroSeal™ is metered at 0.4–0.8 kg per kg of polyamic acid solids; published plant data for this exact ratio are limited, and the set point is normally tuned to the dianhydride-diamine pair and the slot-die coating viscosity. Excess water in the solvent or the polyamic acid solution depresses the degree of polymerisation by hydrolysing the amic acid linkages, producing a viscosity drift that manifests as slot-die edge defects on copper foil and non-uniform film gauge.
The production line uses slot-die or reverse comma coating onto release-treated copper foil, followed by staged drying with an initial 80–120°C zone to evaporate solvent and a 150°C azeotropic hold to remove reaction water. Compliance for the finished flexible laminate references IPC-4204 or equivalent national laminate specifications, ASTM D882-18 for thin-film tensile modulus, and UL 94 V-0 where flame retardancy is demanded. Terminal products include flexible printed circuit boards, chip-on-film interconnection tapes, aerospace wire insulation, and motor slot liners; moisture-resistant toluene handling is maintained upstream because rework of hydrolysed polyamic acid is not feasible once the cured film reaches specification thickness.
Maintenance recoating of structural steel in C5I offshore or chemical-plant environments frequently uses high-solids chlorinated rubber or moisture-cure urethane topcoats in which toluene is part of a balanced aromatic/ester/ketone solvent blend. The toluene fraction is normally held between 10–35 wt% of the total solvent package, but the final proportion is constrained by the relevant VOC category of EU Directive 2004/42/EC and by REACH Annex XVII Entry 48, which restricts supply to the general public above 0.1% while permitting industrial use under controlled conditions. In two-component moisture-cure urethane topcoats, extra-dry toluene reduces the unintended consumption of the isocyanate component by water; production spray trials on plural-component units with 45:1 high-pressure pumps show that free water ingress through the solvent feed can create micro-foaming and a failed cross-hatch adhesion after salt-spray exposure.
Formulation batches are mixed through a desiccant-dry compressed air line and applied at wet film thicknesses that are reconciled by ASTM D2369-20 volatile content measurements and ISO 12944-6:2018 anticorrosive test protocols. The terminal product range includes anti-corrosive maintenance topcoats, chlorinated rubber recoating systems for secondary containment areas, and shop-applied steel primers. Because toluene contributes strongly to VOC and has an occupational exposure limit, the manufacturing specification records the aromatic solvent fraction by gas chromatography before each batch release; no performance claim is made for applications outside industrial-use boundaries.
For opportunity crude handling and refinery blend evaluation, laboratories use toluene for asphaltene precipitation and SARA fractionation protocols. In ASTM D6560-22/IP 143, the sample is first dispersed in n-heptane at the method-specified ratio and heated under reflux; the precipitated asphaltenes are filtered, washed with hot n-heptane, and then re-dissolved in toluene to recover the asphaltene mass. ASTM D4124-09 likewise separates the maltene fraction into saturates, aromatics, and resins using solvent gradients that include toluene. The addition ratio is therefore not a formulating freedom but a method-defined solvent volume per test portion; variations are permitted only within the repeatability and reproducibility statements of the standard.
The terminal output is not a manufactured consumer article but a certified crude assay report, feedstock compatibility assessment, or flow-assurance recommendation for refinery planning. Extra-dry toluene is selected in this segment when trace water would interfere with gravimetric determinations or when laboratories standardise on a single aromatic solvent class for multiple methods; however, published data for the effect of water content on asphaltene precipitation mass are limited, and laboratories generally follow the standard solvent purity requirement rather than infer performance benefits beyond what the test method specifies.
Technical-grade pyrethroid ester synthesis commonly involves the condensation of an acid chloride with an alcohol in an aromatic solvent; toluene, 99.85%, Extra Dry, AcroSeal™ is charged at 3–10 L/kg of the limiting alcohol or acid chloride depending on the target reaction concentration and the viscosity of the ammonium salt by-product slurry. The reaction is conducted at 60–110°C in a glass-lined vessel equipped with a caustic scrubber for hydrogen chloride and a Dean-Stark separator for water removal. Water present in the solvent hydrolyses the acid chloride and increases dimeric or hydrolysed impurities, shifting the technical assay and potentially requiring an additional reslurry step.
Regulatory alignment for the technical material references EPA 40 CFR Part 158 data requirements in North America and the FAO/WHO Joint Meeting on Pesticide Specifications framework for export-grade technical products; analytical release of the isolated pyrethroid ester is typically performed by gas chromatography with flame ionisation detection. After reaction, the toluene phase is washed with water or brine, dried, and the solvent is recovered by vacuum distillation below 80°C to limit thermal degradation of the ester. Terminal products include technical-grade pyrethroid esters formulated into emulsifiable concentrates, ultra-low-volume mosquito adulticides, and agricultural crop protection products where local registration permits the parent active ingredient and its formulated aromatic solvent carryover.
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Toluene, 99.85%, Extra Dry, AcroSeal™, Thermo Scientific (Acros Organics) is supplied as an aromatic hydrocarbon solvent for moisture-sensitive synthesis. The product is identified by CAS 108-88-3, linear formula C6H5CH3, molar mass 92.14 g/mol, density 0.865 g/mL at 25 °C, boiling point 110.6 °C, melting point −95 °C, closed-cup flash point 4 °C, vapour pressure 22 mmHg at 20 °C, and refractive index 1.496 at 20 °C. The release specification is defined by a GC assay of ≥99.85% using ASTM D6526-12 and a Karl Fischer water content of ≤0.005% (50 ppm) using ASTM E203-16 or ISO 760. The AcroSeal closure consists of a glass bottle, a PTFE-lined septum, and a screw cap; it is intended for syringe or cannula withdrawal under a dry inert-gas blanket. AcroSeal solvent packaging is commonly supplied in fill volumes of 100 mL, 1 L, and 2.5 L; the catalog number for this product varies by volume.
Water in toluene is a consumption and termination agent in organometallic chemistry. At ≤50 ppm water, one litre of toluene contains approximately 2.4 mmol of water. In a Grignard preparation at 100 mmol scale, this corresponds to about 2.4 mol% water relative to the intended organomagnesium reagent; at 10 mmol scale, the same litre of solvent contains about 24 mol% water relative to product. The residual water is consumed on a one-to-one molar basis by Grignard reagents and organolithium species, producing hydrocarbon by-products and insoluble magnesium or lithium hydroxides/alkoxides. On a Schlenk line, solvent is charged through a 16 G or 18 G cannula under 0.2–0.4 bar nitrogen or argon, and the receiving flask is sampled for Karl Fischer analysis when the organometallic reagent is below 1 mol% of the reaction mixture. The supplier controls batch water at release; field batch-to-batch variance data for this packaging configuration are not published.
Inside a glovebox maintained at ≤1 ppm O2 and ≤0.1 ppm H2O, bulk residual water is not the only protic impurity source. Repeated puncture of the AcroSeal septum can introduce moisture; published resealing cycle limits for this closure configuration are limited. For metallocene-catalyzed olefin polymerization at catalyst loadings of 1 μmol to 10 μmol per litre, 2.4 mmol water per litre represents 240,000 equivalents at 10 μmol catalyst loading, outside the operational window for Group 4 metallocene/methylaluminoxane systems. In these applications the solvent is dried further by passage through a solvent purification column containing activated alumina and a supported copper catalyst, or stored over 3A molecular sieves activated at 300 °C under high vacuum for 12 h, followed by Karl Fischer verification to ≤10 ppm.
General-purpose toluene with a water level of ≤300 ppm contains roughly 14 mmol water per litre. The extra dry release specification therefore lowers the protic impurity inventory by about 85% relative to that grade.
Anionic polymerization illustrates the termination stoichiometry. A 1 L charge of this solvent at 50 ppm water carries 2.4 mmol of protic contamination, sufficient to terminate 2.4 mmol of carbanionic chain ends. Living polymerizations operated at monomer/initiator ratios above 1,000 are therefore sensitive to this water burden; the solvent is typically scavenged with a small aliquot of n-butyllithium before monomer addition and distilled or pressure-transferred from a purified reservoir. Direct use from the AcroSeal bottle is common in cross-coupling and organometallic synthesis, but direct use is less common in low-initiator living anionic polymerization.
The AcroSeal closure is configured to preserve the solvent headspace after initial opening. A PTFE-lined septum is seated against a glass sealing surface; solvent is removed through a 20 G needle or cannula while a separate gas line supplies dry nitrogen or argon at 0.1–0.2 bar. The septum is not an unlimited self-sealing membrane; repeated insertion can produce coring and visible failure. Data for the number of resealing cycles attainable with this closure configuration are not published. For operations requiring high confidence in closure integrity, the contents are transferred to an oven-dried Schlenk flask fitted with a PTFE stopcock and stored over activated molecular sieves. The septum should be wiped with a lint-free wipe moistened with dry solvent or isopropanol before puncture. A needle should not be left through the septum because this forms an open diffusion path for ambient water and volatile organic vapour.
Drying the product below 10 ppm requires additional equipment and verification. Sampling for Karl Fischer titration after 24 h storage over 3A molecular sieves or after solvent purification-column passage is required before the solvent is used in low-catalyst-loading systems. The supplied water specification is a release-time property; the in-use water content is governed by transfer technique, headspace management, and storage temperature.
Differences from other toluene grades extend beyond water content. ACS reagent toluene is specified for wet chemical and residue parameters but commonly has water ≤300 ppm; HPLC toluene is specified for low ultraviolet absorbance and low residue but is not packaged under an inert septum; anhydrous toluene from a solvent purification system can reach ≤10 ppm water but has no closed-bottle shelf-life specification and must be verified before use. The AcroSeal product is selected when the dominant process risk is protic contamination during repeated sealed removal, not when optical background or sub-10 ppm water is required.
| Parameter | Extra Dry AcroSeal™ | General-purpose reagent | ACS reagent | HPLC |
|---|---|---|---|---|
| Assay, GC | ≥ 99.85% | ≥ 99.5% | ≥ 99.5% | ≥ 99.8% |
| Water, Karl Fischer | ≤ 50 ppm | ≤ 300 ppm typical | ≤ 300 ppm | ≤ 300 ppm typical |
| Residue on evaporation | ≤ 5 ppm | ≤ 5 ppm typical | ≤ 5 ppm | ≤ 1 ppm |
| Packaging closure | AcroSeal septum under inert gas | Plain glass, foil-lined cap | Plain glass, foil-lined cap | Amber glass, foil-lined cap |
| Dominant application parameter | Protic impurity and closure integrity | Cost-sensitive general synthesis | Classical wet-chemical purity | Low UV absorbance and residue |
In Dean–Stark water removal, toluene forms a minimum-boiling azeotrope with water at 84.1 °C containing 19.6% water. For that operation, the initial water content of the solvent is not the primary process variable, because condensed water is continuously removed; general-purpose toluene may be acceptable unless the water content of the initial charge interferes with the reaction.
In Friedel-Crafts alkylation and acylation, the solvent is used with Lewis acid catalysts such as aluminium chloride or titanium tetrachloride. Water hydrolyses these catalysts and liberates hydrogen chloride, altering catalyst loading and product distribution. At catalyst loadings of 0.1 mol% to 10 mol% in a 1 L reactor, 2.4 mmol water per litre is stoichiometrically relevant at the lower end of this range. The product reduces the initial hydrolysis burden but does not replace anhydrous catalyst handling.
For moisture-sensitive extraction of organometallic complexes, the low water specification limits decomposition of water-sensitive metal-organic species during liquid–liquid extraction; for moisture-stable extractions, general-purpose toluene is sufficient.
Under EC 1272/2008, toluene is classified as Flam. Liq. 2, H225; Asp. Tox. 1, H304; Skin Irrit. 2, H315; Repr. 2, H361d; STOT RE 2, H373. Precautionary statements include P210, P233, P240, P241, P242, P243, P280, P301+P310, P331, P304+P340, and P308+P313. Handling must be performed in a fume hood with local exhaust. Bonding and grounding of metal transfer equipment is necessary to dissipate static charge. The lower explosion limit in air is 1.1 vol% and the upper explosion limit is 7.1 vol%; the autoignition temperature is approximately 480 °C. The vapour is heavier than air and can travel to ignition sources. Storage should be in a flammable-liquid cabinet or ventilated solvent room away from strong oxidizers, concentrated nitric acid, sulfuric acid, and chlorine. Use of nitrile or polyvinyl alcohol gloves with permeation data determined under EN 374-1 is required; nitrile and polychloroprene may degrade after extended contact. The bottle should not be exposed to temperatures above 40 °C because of increasing vapour pressure and possible septum deformation. Empty bottles may retain flammable vapour and should be stored capped before disposal.
The product is therefore used where a controlled water specification, a sealed extraction closure, and batch release according to ASTM D6526-12 and ASTM E203-16 are sufficient for the process. When the process requires water below 10 ppm, additional drying with molecular sieves or a solvent purification system remains necessary, and the in-use water content must be verified by Karl Fischer titration. Published data for application-specific failure rates in this packaging configuration are limited.
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