Description

This entry presents Vanillin (C8H8O3; CAS 121-33-5; PubChem CID 1183 (https://pubchem.ncbi.nlm.nih.gov/compound/1183)) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, O), 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: Vanillin is recorded as a flavour enhancer and as an antimutagen (source: Wikidata Q33495 (https://www.wikidata.org/wiki/Q33495), retrieved 2026-10-10). Structure at a glance 19 atoms: 8 C, 8 H, 3 O 19 bonds: 12 single, 1 double, 6 aromatic One aromatic 6-membered ring Functional groups: one aldehyde group (-CHO), one phenolic hydroxyl group (Ar-OH) and one ether linkage (C-O-C) One hydrogen-bond donor and three acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.12 (computed) Use in teaching Counting task: students tally the engraved symbols (8 C, 8 H, 3 O; 19 atoms) and rebuild the formula C8H8O3 from the model alone. Aromaticity: identify the aromatic ring and the 6 bonds recorded as aromatic. Functional groups: find the aldehyde group (-CHO), the phenolic hydroxyl group (Ar-OH) and the ether linkage (C-O-C) on the model and name each one. File and printing STL mesh of 259,524 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: 6.251 × 5.662 × 6.617 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 62.5 × 56.6 × 66.2 mm. SHA-256: 0194fb70856b8c13161f010c53e0323853f0e2dd8f561c3592ddd402f59e2ba9. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): MWOOGOJBHIARFG-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/121-33-5 (https://molgod.org/molecule/121-33-5/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/121-33-5 (https://molgod.org/licenses/stl/121-33-5/) · Same file on Wikimedia Commons: File:Vanillin-3D-molecular-model-engraved-CAS-121-33-5.stl (https://commons.wikimedia.org/wiki/File:Vanillin-3D-molecular-model-engraved-CAS-121-33-5.stl) MolGod ID: MG_862-948-061-70 (https://molgod.org/id/MG_862-948-061-70) Wikidata: Q33495 (https://www.wikidata.org/wiki/Q33495) EC number: 204-465-2 ChemSpider ID: 13860434 IUPAC name: 4-hydroxy-3-methoxybenzaldehyde InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N SMILES: COC1=C(C=CC(=C1)C=O)O Molar mass 152.15 g/mol (exact mass 152.047344113) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "Vanillin 3D model by MolGod.org — https://molgod.org/molecule/121-33-5/ — CC BY-SA 4.0".