Benzaldehyde

CAS 100-52-7  ·  C7H6O  ·  MW 106.12 g/mol

Full record: Benzaldehyde — Safety Data Sheet →

Loading molecule...
3D model Benzaldehyde, CAS 100-52-7, molecular formula C7H6O, molar mass 106.12 g/mol

Model views

  • Benzaldehyde (CAS 100-52-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Benzaldehyde (CAS 100-52-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Benzaldehyde (CAS 100-52-7) – 2D structure, MolGod Viewer
    2D structure

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

🖨️ 3D print model & licenseMolGod_Print3D_1
Benzaldehyde (CAS 100-52-7), C7H6O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG_903-981-510-95 · engraved · 188,916 △ · 9 MB · SHA-256 90024292cb3a35ff

Download 3D model · ENGRAVED · C H O

Benzaldehyde (CAS 100-52-7), C7H6O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_903-981-510-95 · normal · 6,208 △ · 303 KB · SHA-256 c669f626ca909c0a

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 Benzaldehyde

Benzaldehyde is a chemical compound registered under number CAS 100-52-7, with the molecular formula C7H6O, and a molar mass of 106.12 g/mol.

The molecule contains 14 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is benzaldehyde. 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 = 1.5 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Ų, 0 donors and 1 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 formulaC7H6O
Molar mass106.12 g/mol
IUPACbenzaldehyde
SMILESC1=CC=C(C=C1)C=O
InChIKeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
logP (XLogP3)1.5
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 240 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

Scientific literature

Related literature

9 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 9)

2019: number of articles 120192020: number of articles 12022: number of articles 220222024: number of articles 32025: number of articles 22025

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
benzaldehyde · 100-52-7 · Benzoic aldehyde · Phenylmethanal · Benzenecarbonal · Benzenecarboxaldehyde · Benzenemethylal · Benzaldehyde FFC · Benzene carbaldehyde · Benzene carboxaldehyde · benzanoaldehyde · Benzylaldehyde · NCI-C56133 · Benzoic acid aldehyde · FEMA No. 2127
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Benzaldehyde · 100-52-7
InChIKey
HUMNYLRZRPPJDN-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Benzaldehyde (CAS 100-52-7)
License & provenance record
Benzaldehyde (CAS 100-52-7) →
MolGod molecule record
Benzaldehyde →
Source data
PubChem CID 240 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c669f626ca909c0a52fcf28130f7c4f7ef74afc582d43c1d579b95e0ad7184dc
MD5 (STL)
1ecc5602402b24427f561e13cfbd795e
MolGod Identification Number
MG_903-981-510-95
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.23476655) · NIH 3D (3DPX-023771) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 240)
—