Description

This entry presents Toluene (C7H8; CAS 108-88-3; PubChem CID 1140 (https://pubchem.ncbi.nlm.nih.gov/compound/1140)) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged. Biological relevance: Toluene is used as a solvent and fuel and is recorded as a developmental and female reproductive toxicant (source: Wikidata Q15779 (https://www.wikidata.org/wiki/Q15779), retrieved 2026-10-10). Structure at a glance 15 atoms: 7 C, 8 H 15 bonds: 9 single, 6 aromatic One aromatic 6-membered ring No hydrogen-bond donors or acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.14 (computed) Use in teaching Counting task: students tally the engraved symbols (7 C, 8 H; 15 atoms) and rebuild the formula C7H8 from the model alone. Aromaticity: identify the aromatic ring and the 6 bonds recorded as aromatic. File and printing STL mesh of 189,682 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 5.269 × 5.32 × 4.5 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 52.7 × 53.2 × 45.0 mm. SHA-256: feab11b67ae900800ebf0d8884f9c2a61675842ce36eeb4750e5db702cc4873a. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): YXFVVABEGXRONW-UHFFFAOYSA-N Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file Source, licence and identifiers Full record: molgod.org/molecule/108-88-3 (https://molgod.org/molecule/108-88-3/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/108-88-3 (https://molgod.org/licenses/stl/108-88-3/) · Same file on Wikimedia Commons: File:Toluene-3D-molecular-model-engraved-CAS-108-88-3.stl (https://commons.wikimedia.org/wiki/File:Toluene-3D-molecular-model-engraved-CAS-108-88-3.stl) MolGod ID: MG_139-568-630-43 (https://molgod.org/id/MG_139-568-630-43) Wikidata: Q15779 (https://www.wikidata.org/wiki/Q15779) EC number: 203-625-9 ChemSpider ID: 1108 IUPAC name: toluene InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N SMILES: Cc1ccccc1 Molar mass 92.14 g/mol (exact mass 92.062600255) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "Toluene 3D model by MolGod.org — https://molgod.org/molecule/108-88-3/ — CC BY-SA 4.0".