Mullite is the only stable intermediate phase in the alumina–silica (Al₂O₃–SiO₂) binary system at atmospheric pressure — an orthorhombic aluminosilicate mineral and high-performance technical ceramic with general formula Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ (x ≈ 0.2–0.9), commonly simplified as 3Al₂O₃·2SiO₂ (3/2-mullite, x ≈ 0.25, ~60 mol% Al₂O₃) or 2Al₂O₃·SiO₂ (2/1-mullite, x ≈ 0.40), IMA symbol Mul, Strunz classification 9.AF.20, space groups Pbnm and Pnnm, unit cell a = 7.5785 Å, b = 7.6817 Å, c = 2.8864 Å (Z = 1), Mohs hardness 6–7, specific gravity 3.11–3.26 g/cm³, and the crystal structure of chains of edge-sharing AlO₆ octahedra running parallel to the c-axis, cross-linked by (Al,Si)O₄ tetrahedra with oxygen vacancies arising from charge compensation.
Mullite is extremely rare in nature (first described in 1924 from the Isle of Mull, Scotland; known from only a handful of localities worldwide including Bellerberg, Eifel, Germany and Val Sissone, Italy) but is industrially produced in vast quantities by firing or melting aluminosilicate raw materials including kaolin, kyanite, andalusite, sillimanite, bauxite, alumina, and silica at 1,100–2,000°C; it is the most important refractory oxide phase for the steel, glass, ceramics, petrochemical, and aerospace industries, valued for its uniquely favourable combination of low thermal expansion (4.5–5.4×10⁻⁶/°C), high melting point (1,840°C), excellent thermal shock resistance, high hot-load strength, low thermal conductivity, and good chemical stability in acid metal slags.
Mullite is classified as Not Classified under GHS for industrial handling of bulk synthetic mullite ceramic material; it is a nuisance dust requiring standard particulate respiratory precautions; crystalline silica may be present as an impurity in commercial grades and requires assessment under applicable silica OEL regulations.
Chemical Formula: Al₆Si₂O₁₃ (3Al₂O₃·2SiO₂, ideal 3/2-mullite)
IMA Symbol: Mul
Strunz Classification: 9.AF.20
Molecular Weight: 426.05 g/mol
PubChem CID: 12880061
Synonyms: Mullite-alpha, Porcelainite, Porcellanite (rock type containing mullite), 3Al₂O₃·2SiO₂, 2Al₂O₃·SiO₂, Al₆Si₂O₁₃, Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ, Sintered mullite, Fused mullite, Reaction mullite, Chemical mullite, EINECS 215-113-2, EC 215-113-2, MP 40-02, PubChem CID 12880061
Formed from alumina and silica, Mullite has the ideal composition 3Al₂O₃·2SiO₂.
The stoichiometric formula Al₆Si₂O₁₃ is also commonly used to represent Mullite.
Approximately 71.8% alumina and 28.2% silica make up ideal stoichiometric Mullite.
Composition can vary in commercial Mullite because of solid solution, residual glass, and minor impurities.
Within the binary alumina–silica system, Mullite represents the only thermodynamically stable intermediate crystalline phase.
An orthorhombic crystal structure gives Mullite its characteristic atomic arrangement.
Natural occurrences remain uncommon, so most industrial Mullite is manufactured synthetically.
Controlled processing allows synthetic Mullite to achieve consistent composition, purity, and particle characteristics.
Calcination of Kyanite, andalusite, or sillimanite can produce Mullite together with a silica-rich phase.
Mixtures of kaolin and bauxite also provide economical raw materials for manufacturing Mullite.
Heating high-purity alumina and silica at elevated temperatures offers another route to Mullite.
Sintering and electric-furnace fusion produce Mullite grades with different densities and microstructures.
Needle-shaped crystals often develop during the formation of Mullite.
Interlocking crystals give Mullite-based ceramics improved strength and structural integrity.
A melting temperature near 1,840°C gives Mullite excellent refractoriness.
High thermal stability allows Mullite to retain useful properties during prolonged exposure to elevated temperatures.
Low thermal expansion limits dimensional changes in Mullite during heating and cooling.
The small dimensional response helps Mullite withstand repeated thermal cycling.
Rapid temperature variations cause less cracking in Mullite because of its strong thermal-shock resistance.
Kilns and furnaces benefit from Mullite components where frequent heating and cooling occur.
Low thermal conductivity allows Mullite to reduce heat transfer through refractory structures.
Insulating bricks and thermal barriers can use Mullite to improve heat-management performance.
High hot strength helps Mullite support mechanical loads at elevated temperatures.
Resistance to creep allows Mullite to limit slow deformation during prolonged high-temperature service.
Chemical stability protects Mullite against many corrosive furnace atmospheres and molten materials.
Low gas permeability further supports the use of dense Mullite in demanding processing environments.
Refractory bricks, mortars, castables, and furnace linings commonly contain Mullite.
Steel, glass, ceramic, cement, and chemical-processing industries all use Mullite in high-temperature equipment.
Glass-melting furnaces employ Mullite in burner blocks, checker bricks, ports, and upper structures.
Resistance to thermal shock and chemical attack makes Mullite valuable in glass-production environments.
Kiln shelves, setter plates, beams, and other kiln furniture can be manufactured from Mullite.
Dimensional stability enables Mullite kiln furniture to support ceramic products without excessive bending.
Furnace tubes and thermocouple protection sheaths frequently use Mullite.
Electrical insulation and heat resistance make Mullite suitable for high-temperature sensor protection.
Crucibles, heater supports, and refractory laboratory components can be produced from Mullite.
Molten-metal processing systems also use Mullite in filters, nozzles, and casting components.
Electrical and electronic ceramics benefit from the insulating behaviour of Mullite.
At elevated temperatures, Mullite combines electrical resistance with useful dimensional stability.
Porcelain and technical ceramic bodies develop Mullite during firing reactions between clay and alumina-rich materials.
The amount and morphology of Mullite strongly influence the strength of fired ceramic bodies.
Cordierite–Mullite composites combine low thermal expansion with improved high-temperature strength.
Corundum–Mullite materials provide greater wear resistance and load-bearing capacity at elevated temperatures.
Porous Mullite can serve as a filtration medium or catalyst-support structure.
Controlled pore formation allows Mullite to support membranes and gas-treatment components.
Ceramic matrix composites may use Mullite to improve oxidation resistance and thermal compatibility.
Thermal-barrier and aerospace research also evaluate Mullite for lightweight high-temperature protection.
Uses of Mullite:
Mullite is the primary refractory phase in steel industry hot blast stove checker bricks and is used throughout steel production in reheat furnaces, steel ladle linings, slide gates, lances, and monolithic castables and precast shapes; the steel sector is the single largest user, where refractoriness up to 1,840°C, thermal shock resistance, and high creep resistance are essential.
Mullite is used extensively in the glass industry in ports, burner blocks, checker bricks, drawing chamber linings, and the upper structure of glass-melting tank furnaces; thermal shock resistance, high hot strength, chemical resistance to glass melt attack, creep resistance, and resistance to particulate carryover (critical in flat glass production where low Al₂O₃ contamination tolerance is required) are the key valued properties.
Mullite is the standard material for ceramic kiln furniture — kiln setter slabs, posts, rollers, and supports that hold ceramic ware during high-temperature firing — due to its dimensional stability at firing temperatures, thermal shock resistance, and compatibility with ceramic bodies.
Mullite is used as an electrical insulator and high-voltage insulating component (volume resistivity >10¹³ Ω·cm, dielectric constant 6.5 at 1 MHz, dielectric strength 9.8 ac-kV/mm) in thermocouple protection sheaths, furnace muffle tubes, combustion tubes, diffusion furnace liners, radiant furnace tubes, and electronic substrates.
Mullite is used in the petrochemical and aluminium industries for process vessels, tubes, and structural components requiring thermal shock resistance, chemical attack resistance, and hot-load strength; it is used in protective coatings for silicon carbide and carbon-fibre composites in aerospace (thermal and environmental barrier coatings, EBCs/TBCs) and as a potential turbine engine component material.
Mullite forms in situ as the strengthening crystalline phase in traditional porcelains, stonewares, and technical whiteware ceramics; needle-shaped interlocking mullite crystals that form at ~1,400°C during firing of kaolin-containing bodies reinforce the surrounding glassy phase and contribute the mechanical strength, durability, and thermal shock resistance characteristic of well-fired porcelain.
Mullite is used in infrared (IR)-transmitting windows, honeycomb heat exchangers, catalyst supports (including as a synthetic analogue of platinum for diesel engine exhaust management), and precision-machined components for defence and aerospace applications exploiting its machinability, low cost relative to other advanced ceramics, and high-temperature stability.
Benefits and Advantages of Mullite:
Mullite is the only thermodynamically stable intermediate compound in the SiO₂–Al₂O₃ binary system at atmospheric pressure — a unique phase stability that makes it resistant to decomposition and phase change across the full service temperature range up to its melting point (~1,840°C), providing long-term phase stability unmatched by metastable ceramic phases.
Mullite's coefficient of thermal expansion (4.5–5.4×10⁻⁶/°C) is significantly lower than that of alumina (~8×10⁻⁶/°C), quartz, and partially stabilised zirconia, and its low thermal conductivity (6.07 W·m⁻¹·K⁻¹ at 100°C decreasing to 3.89 at 1,400°C) combine to give exceptional thermal shock resistance, making it the preferred refractory for applications subject to rapid temperature cycling.
Mullite's raw materials (kaolin, sillimanite-group minerals, alumina, silica) are globally abundant and inexpensive relative to other advanced ceramic raw materials; this supply security and cost-effectiveness, combined with its high-performance properties, make mullite the dominant refractory oxide ceramic by volume in the steel and glass industries.
The needle-shaped morphology of mullite crystals formed during sintering at ~1,400°C produces a mechanically interlocked crystal network that reinforces ceramic bodies, increases flexural strength and compressive strength, and improves fracture toughness — a self-reinforcing microstructural effect exploited in both industrial refractories and fine porcelain manufacture.
Features of Mullite:
Mullite occurs as prismatic to acicular (needle-shaped) crystals, colourless to pale pink, white, or grey; luster is vitreous; transparency is transparent to translucent; Mohs hardness 6–7; Knoop hardness ~1,450; specific gravity 3.11–3.26 (measured), 3.17 (calculated); cleavage distinct on {010}; the natural mineral is first described from the Isle of Mull, Scotland (type locality 1924).
Synthetic mullite exists in two principal morphologies: platelet shape (low aspect ratio) and needle shape (high aspect ratio); needle-shaped mullite formed at ~1,400°C in ceramic bodies interlocks mechanically and reinforces the ceramic body; density of dense sintered mullite ~3.2 g/cm³ (commercial grades 2.8 g/cm³ for porous bodies); maximum working temperature up to 1,800°C in air and 1,600°C in vacuum.
Key technical properties: flexural strength ~170–190 MPa; tensile strength ~132 MPa; compressive strength 550–1,320 MPa; modulus of elasticity 91–220 GPa; Poisson's ratio 0.24; fracture toughness KIC ~2.5 MPa·m¹/²; CTE 4.5–5.4×10⁻⁶/°C (20–1,400°C); thermal conductivity 6.07 W·m⁻¹·K⁻¹ (100°C); specific heat ~250 J·kg⁻¹·K⁻¹; volume resistivity >10¹³ Ω·cm; dielectric constant 6.5 (1 MHz); dielectric strength 9.8 ac-kV/mm; dissipation factor 0.003 (1 kHz).
The crystal structure of mullite is characterised by parallel chains of edge-sharing AlO₆ octahedra running along the c-axis, cross-linked by (Al,Si)O₄ tetrahedral chains; charge compensation upon Al³⁺ substitution for Si⁴⁺ in the tetrahedra creates oxygen vacancies and T3O tetrahedral tricluster groups; three Al sites exist — two distorted tetrahedral and one octahedral; no charge-balancing cations are present; the solid solution range spans x ≈ 0.2–0.9 (~55–90 mol% Al₂O₃).
Mineralogical and Chemical Properties of Mullite:
Mullite has ideal stoichiometric formula Al₆Si₂O₁₃ (3/2-mullite, 71.8 wt% Al₂O₃, 28.2 wt% SiO₂), molecular weight 426.05 g/mol; the solid solution is expressed as Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ (x ≈ 0.2–0.9); main members: sillimanite (x = 0, Al₂SiO₅), stoichiometric 3/2-mullite (x = 0.25), 2/1-mullite (x = 0.40, typical commercial grade), and ι-alumina (x = 1); equilibrium solid solution composition limits 60–63 mol% Al₂O₃ (below 1,600°C); PubChem CID 12880061; EINECS 215-113-2.
Mullite belongs to the nesosilicate class with orthorhombic symmetry (mmm dipyramidal class, H-M symbol 2/m 2/m 2/m); space groups Pbnm and Pnnm; unit cell a = 7.5785 Å, b = 7.6817 Å, c = 2.8864 Å; Z = 1; optical properties biaxial (+); refractive indices nα = 1.642–1.653, nβ = 1.644–1.655, nγ = 1.654–1.679; birefringence δ = 0.012–0.026; 2V angle 20°–50°.
Mullite exhibits strong property anisotropy due to its chain structure: highest longitudinal elastic stiffness parallel c; maximum thermal conductivity parallel c; largest thermal expansion parallel b; fastest crystal growth and highest corrosion rate parallel c; reversible anomalies in heat capacity and thermal expansion occur between 1,000–1,200°C attributed to dynamic site exchange of tetrahedral cations, bridging O atoms, and O vacancies.
Mullite is stable in reducing, oxidising, and neutral atmospheres up to its melting point; it is resistant to acid metal slags and insoluble in most acids; it is compatible with alumina, zirconia, and silica-bearing systems; minor impurities in commercial grades include TiO₂, Fe₂O₃, alkalis (Na₂O, K₂O, CaO), and excess SiO₂ residing in the accompanying glass phase; fracture toughness can be improved to 7 MPa·m¹/² by ZrO₂ or SiC composite addition.
Production of Mullite:
Sintered mullite is produced by high-temperature solid-state diffusion reaction (up to 1,600–1,800°C) of blended aluminosilicate raw materials — kaolin, china clay, pyrophyllite, alumina (Al₂O₃), silica (SiO₂), andalusite, kyanite, sillimanite, or bauxite — where the Al₂O₃ content controls the sintering temperature (73 wt% Al₂O₃ sinters at ~1,600°C; 77 wt% at 1,800°C); sintered mullite is the primary form used in refractories and crucibles.
Fused mullite is produced by melting raw materials (Bayer alumina, fused silica, quartz sand, rock crystal) in electric arc furnaces above 2,000°C; fused mullite typically contains ~83 wt% Al₂O₃ (near 2/1-mullite composition), has lower impurity content than sintered mullite, and a coarser, better-defined microstructure; it is used in glass contact refractories, kiln furniture, and shell-building applications.
Reaction mullite (chemical mullite) is produced by advanced synthesis routes including solution sol-gel processing (atomic/molecular mixing of Al and Si precursors, mullitisation at 1,200–1,300°C), spray pyrolysis, and chemical vapour deposition (CVD), yielding homogeneous submicronic mullite powders, fibres, coatings, and dense samples with superior microstructural purity for advanced ceramic and electronic applications.
Mullite also forms in situ during high-temperature firing of kaolin-based ceramics (above 1,100°C kyanite → mullite + silica; above 1,450°C andalusite → mullite + silica; above 1,600°C sillimanite → mullite + silica), producing in-situ ceramic bodies with mullite as the strengthening crystalline phase; approximately 7,000 tonnes of neodymium oxide are produced annually — commercial mullite production is measured in millions of tonnes globally.
Mullite Material Safety Data Sheet (MSDS):
Handling of Mullite:
Synthetic mullite ceramic material is classified Not Classified under GHS for bulk handling; inhalation of mullite dust should be minimised using standard mineral dust handling precautions; commercial grades may contain residual crystalline silica (quartz, cristobalite) as an impurity — assess crystalline silica content and apply applicable OEL regulations (OSHA PEL 0.05 mg/m³ respirable crystalline silica; ACGIH TLV 0.025 mg/m³).
Avoid generation of fine dust during machining, grinding, and crushing of mullite ceramic components; use wet methods, local exhaust ventilation, and appropriate respiratory protection where airborne dust cannot be controlled; wash hands after handling; do not eat, drink, or smoke in dusty work areas.
Mullite SDS:
Stability and Reactivity of Mullite:
Chemical stability:
Mullite is chemically stable under all normal processing and service conditions; it is the only thermodynamically stable phase in the Al₂O₃–SiO₂ system at atmospheric pressure.
Mullite is resistant to oxidising, reducing, and neutral atmospheres up to its melting point (~1,840°C); no phase change, hazardous decomposition, or chemical reaction occurs under normal industrial service conditions.
Reactivity:
Mullite is resistant to most acids and to acid metal slags; it is insoluble in dilute mineral acids and most organic solvents.
At very high temperatures (>1,840°C) or in the presence of alkali fluxes (Na₂O, K₂O) or certain fluorides at elevated temperature, mullite may partially dissolve or react.
Conditions to avoid:
Concentrated alkali solutions and alkali metal oxides at elevated temperatures (above ~1,000°C).
Concentrated hydrofluoric acid (dissolves silicate structures).
Fine dust generation during machining and grinding.
Incompatible materials:
Concentrated HF at elevated temperature.
Strong alkali metal fluxes at very high temperatures.
Phosphoric acid at elevated temperature.
Hazardous decomposition products:
No hazardous decomposition products under normal service conditions.
Crystalline silica (cristobalite) may form during phase transformation at very high temperatures in silicon-rich compositions.
Handling and Storage of Mullite:
Handling:
Handle ceramic components with care to avoid breakage and generation of ceramic dust.
Use wet methods or local exhaust ventilation during machining, grinding, or sawing.
Wear appropriate respiratory protection (P2/P95 or higher) where crystalline silica-containing dust may be present.
Wash hands after handling; do not eat, drink, or smoke in dusty work areas.
Storage:
Store in dry conditions away from strong acids, alkalis, and extreme moisture.
Ceramic components: protect from mechanical impact and thermal shock during storage and transport.
No special temperature requirements; no flammability, reactivity, or transport hazard.
First Aid Measures for Mullite:
Inhalation:
Move the affected person to fresh air; if respiratory irritation persists, consult a physician.
For chronic occupational exposure to aluminosilicate ceramic dust, periodic lung function monitoring is recommended; assess crystalline silica content for long-term health risk.
Skin contact:
Wash with water; ceramic dust is not a primary skin irritant.
Eye contact:
Rinse with water for several minutes; consult a physician if irritation persists.
Ingestion:
Rinse the mouth with water; mullite is of very low acute oral toxicity; consult a physician if large quantities are ingested.
Firefighting Measures for Mullite:
Suitable extinguishing media:
Mullite is a non-combustible refractory ceramic; use extinguishing media appropriate to surrounding fire.
Specific hazards:
Mullite does not present fire or explosion hazards; no toxic combustion products generated.
Protective equipment for firefighters:
Standard fire-fighter protective equipment; SCBA where significant dust clouds are present.
Accidental Release Measures for Mullite:
Personal precautions:
Prevent fine dust generation; wear respiratory protection if fine dust is dispersed.
Environmental precautions:
Mullite is not classified as an environmental hazard; prevent entry of fine powder into water courses in large quantities.
Clean-up methods:
Collect mechanically using wet methods where possible; dispose in accordance with applicable local regulations.
Exposure Controls / Personal Protective Equipment for Mullite:
Engineering controls:
Local exhaust ventilation during machining, grinding, and processing; wet methods preferred.
Eye protection:
Safety glasses or goggles during machining of ceramic components.
Hand protection:
General purpose gloves for protection from abrasion during handling of ceramic pieces.
Respiratory protection:
P2 (EU EN 143) or P95 (US) particle filter for dusty operations; assess for crystalline silica content — if present at ≥0.1%, apply silica OEL controls and appropriate higher-grade respirator.
Mullite Identifiers:
IMA Symbol: Mul
Strunz Classification: 9.AF.20
Chemical Formula: Al₆Si₂O₁₃ (ideal); Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ (solid solution, x ≈ 0.2–0.9)
Molecular Weight: 426.05 g/mol (ideal formula Al₆Si₂O₁₃)
PubChem CID: 12880061
InChI: InChI=1S/6Al.2O2Si.9O
InChIKey: KZHJGORXZJKJNY-UHFFFAOYSA-N
SMILES: O=[Al]O[Al]=O.O=[Al]O[Al]=O.O=[Al]O[Al]=O.O=[Si]=O.O=[Si]=O
EINECS: 215-113-2
EC: 215-113-2
Type Locality: Isle of Mull, Argyll, Scotland (1924)
Crystal System: Orthorhombic
Crystal Class: Dipyramidal (mmm); H-M (2/m 2/m 2/m)
Space Group: Pbnm, Pnnm
Unit Cell: a = 7.5785 Å, b = 7.6817 Å, c = 2.8864 Å; Z = 1
Colour: Colourless to pale pink, white, or grey
Crystal Habit: Prismatic to acicular
Cleavage: Good/distinct on {010}
Mohs Hardness: 6–7
Knoop Hardness: ~1,450
Specific Gravity: 3.11–3.26 (measured); 3.17 (calculated)
Optical Properties: Biaxial (+)
Refractive Index: nα 1.642–1.653; nβ 1.644–1.655; nγ 1.654–1.679
Birefringence: 0.012–0.026
2V Angle: 20°–50°
Luster: Vitreous
Transparency: Transparent to translucent
Melting Point: ~1,840°C (3Al₂O₃·2SiO₂)
Density (dense sintered): ~3.2 g/cm³
CTE: 4.5–5.4×10⁻⁶/°C (20–1,400°C)
Thermal Conductivity: 6.07 W·m⁻¹·K⁻¹ (100°C); 3.89 (1,400°C)
Max. Working Temperature: 1,800°C (air); 1,600°C (vacuum)
GHS Classification: Not Classified (bulk ceramic); crystalline silica impurity requires separate OEL assessment
IMA Status: Approved, Grandfathered (1924)
Properties of Mullite:
Mineral class: Nesosilicate
Chemical formula: Al₆Si₂O₁₃ (3/2-mullite ideal); Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ (solid solution)
Molecular weight: 426.05 g/mol
Crystal system: Orthorhombic
Colour: Colourless to pale pink, white, grey
Crystal habit: Prismatic to acicular (needle-like)
Mohs hardness: 6–7
Specific gravity: 3.11–3.26 g/cm³
Luster: Vitreous
Transparency: Transparent to translucent
Melting point: ~1,840°C
CTE: 4.5–5.4×10⁻⁶/°C
Thermal conductivity: 6.07 W·m⁻¹·K⁻¹ (100°C)
Flexural strength: ~170–190 MPa
Compressive strength: 550–1,320 MPa
GHS Classification: Not Classified
Storage: Dry conditions, away from strong acids and alkalis
Mullite Properties — Specifications:
Product name: Mullite (3Al₂O₃·2SiO₂ / Al₆Si₂O₁₃)
IMA Symbol: Mul
Chemical Formula: Al₆Si₂O₁₃ (ideal); solid solution Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ
Molecular Weight: 426.05 g/mol
Composition (ideal 3/2-mullite): Al₂O₃ 71.8%, SiO₂ 28.2%
Typical Al₂O₃ range (commercial): 60–83 wt%
Melting point: ~1,840°C
Density: 3.11–3.26 g/cm³ (dense sintered ~3.2)
Mohs hardness: 6–7
Max. working temperature: 1,800°C (air)
Available grades: Sintered mullite (refractories, kiln furniture); Fused mullite (glass industry, heavy refractories); Reaction/chemical mullite (advanced ceramics, coatings, electronics); Mullite powder (sol-gel grade); Mullite fibre; Mullite sputtering target
Storage: Dry, away from strong acids and alkalis; no special temperature requirements
Format: Powder, granules, grogs, sands, dense shapes (tubes, bricks, plates, rods), honeycomb structures, fibres, coatings
Documents: Product data sheet, CoA available on request
Names of Mullite:
Mullite
Mullite-alpha
Porcelainite
3Al₂O₃·2SiO₂
Al₆Si₂O₁₃
2Al₂O₃·SiO₂
Al₄₊₂ₓSi₂₋₂ₓO₁₀₋ₓ
Sintered mullite
Fused mullite
Reaction mullite
Chemical mullite
IMA symbol Mul
Strunz 9.AF.20
EINECS 215-113-2
EC 215-113-2
MP 40-02
PubChem CID 12880061