This entry presents Vanillin (C8H8O3; CAS 121-33-5; PubChem CID 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, 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 · Licence and provenance record: molgod.org/licenses/stl/121-33-5 · Same file on Wikimedia Commons: File:Vanillin-3D-molecular-model-engraved-CAS-121-33-5.stl

• MolGod ID: MG_862-948-061-70

• Wikidata: 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). Required attribution: "Vanillin 3D model by MolGod.org — https://molgod.org/molecule/121-33-5/ — CC BY-SA 4.0".