Vanillin

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

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3D model Vanillin, CAS 121-33-5, molecular formula C8H8O3, molar mass 152.15 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC8H8O3
Masa molowa152.15 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 — Działa drażniąco na oczy

H302 — Działa szkodliwie po połknięciu

H411 — Działa toksycznie na organizmy wodne, powodując długotrwałe skutki

H320 — H320

H402 — Działa szkodliwie na organizmy wodne

H412 — Działa szkodliwie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (9 articles)

2021: 2 articles20212022: 1 articles2023: 1 articles20232024: 2 articles2025: 3 articles2025

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
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License & Provenance

MolGod 3D molecular model
vanillin — CAS 121-33-5

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
vanillin (CAS 121-33-5) — License & Provenance

Source:
vanillin (CAS 121-33-5) — MolGod molecule record

Source data: PubChem CID 1183

STL: Download 3D model (386 KB)

SHA-256: 17033e0fb45d881563d1f2a68591b1b58ea3ef177263a022eee86b32765e1520

Wikimedia Commons: not published yet

Source data: PubChem CID 1183

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