Vanillin

Vanillin

CAS 121-33-5  ·  C8H8O3  ·  MW 152.15 g/mol

Full record: Vanillin — Safety Data Sheet →

Loading molecule...
3D model Vanillin, CAS 121-33-5, molecular formula C8H8O3, molar mass 152.15 g/mol

Model views

  • Vanillin (CAS 121-33-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Vanillin (CAS 121-33-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Vanillin (CAS 121-33-5) – 2D structure, MolGod Viewer
    2D structure

© 2026 MolGod.org. All rights reserved. · Image rights

🖨️ 3D print model & licenseMolGod_Print3D_1
vanillin (CAS 121-33-5), C8H8O3 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG_862-948-061-70 · engraved · 256,046 △ · 12 MB · SHA-256 5ad695fd3e1ed555

Download 3D model · ENGRAVED · C H O

vanillin (CAS 121-33-5), C8H8O3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_862-948-061-70 · normal · 8,288 △ · 405 KB · SHA-256 a38cfc525734d4d2

Download 3D model

License & provenance ↓

⚠️ The MolGod.org name and logo, including the raised logo on the base, are our trademark. The CC BY-SA 4.0 licence does not cover trademarks (section 2(b)(2)). Do not use the MolGod.org logo to brand your own products, in advertising, or in any way that suggests our endorsement without our written permission.

About Vanillin

Vanillin is a chemical compound registered under number CAS 121-33-5, with the molecular formula C8H8O3, and a molar mass of 152.15 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 4-hydroxy-3-methoxybenzaldehyde. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.2 (positive value, a lipophilic compound), polar surface area PSA = 46.5 Ų, 1 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC8H8O3
Molar mass152.15 g/mol
IUPAC4-hydroxy-3-methoxybenzaldehyde
SMILESCOC1=C(C=CC(=C1)C=O)O
InChIKeyMWOOGOJBHIARFG-UHFFFAOYSA-N
logP (XLogP3)1.2
PSA46.5 Ų
HBD / HBA1 / 3
PubChem CIDCID 1183 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS09
GHS09

H319 — Causes serious eye irritation

H302 — Harmful if swallowed

H411 — Toxic to aquatic life with long lasting effects

H402 — Harmful to aquatic life

H412 — Harmful to aquatic life with long lasting effects

Scientific literature

Related literature

9 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 9)

2021: number of articles 220212022: number of articles 12023: number of articles 120232024: number of articles 22025: number of articles 32025

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
vanillin · 4-Hydroxy-3-methoxybenzaldehyde · 121-33-5 · Vanillic aldehyde · Vanillaldehyde · p-Vanillin · Vanilline · Lioxin · 3-Methoxy-4-hydroxybenzaldehyde · 4-Hydroxy-3-methoxy-benzaldehyde · Benzaldehyde, 4-hydroxy-3-methoxy- · 4-Hydroxy-m-anisaldehyde · 2-Methoxy-4-formylphenol · Zimco · p-Hydroxy-m-methoxybenzaldehyde
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
vanillin · 121-33-5
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — vanillin (CAS 121-33-5)
License & provenance record
vanillin (CAS 121-33-5) →
MolGod molecule record
vanillin →
Source data
PubChem CID 1183 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
a38cfc525734d4d2c8f2fc43bb3a85cb4447ffc5614d63b6ee4ec2846a076d7c
MD5 (STL)
6cb86153e60ba05af1d07d46ba09b990
MolGod Identification Number
MG_862-948-061-70
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23276612) · NIH 3D (3DPX-023718) · Wikimedia Commons
Included in datasets: Mendeley Data (DOI 10.17632/gt7yz9wxzw.1) · Hugging Face · OSF project index
Source structure: PubChem (CID 1183)
—