Toluene

Toluene

CAS 108-88-3  ·  C7H8  ·  MW 92.14 g/mol

Toluene (CAS 108-88-3) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.

Full record: Toluene — Safety Data Sheet →

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3D model Toluene, CAS 108-88-3, molecular formula C7H8, molar mass 92.14 g/mol

Model views

  • Toluene (CAS 108-88-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Toluene (CAS 108-88-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Toluene (CAS 108-88-3) – 2D structure, MolGod Viewer
    2D structure

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toluene (CAS 108-88-3), C7H8 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

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License & provenance ↓

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About Toluene

Toluene is a chemical compound registered under number CAS 108-88-3, with the molecular formula C7H8, and a molar mass of 92.14 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is toluene. 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 = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 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 formulaC7H8
Molar mass92.14 g/mol
IUPACtoluene
SMILESCc1ccccc1
InChIKeyYXFVVABEGXRONW-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 1140 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08

H225 — Highly flammable liquid and vapour

? — H361d — Suspected of damaging the unborn child

H304 — May be fatal if swallowed and enters airways

H336 — May cause drowsiness or dizziness

H373 — May cause damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

Scientific literature

Related literature

5 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 5)

1990: number of articles 119902002: number of articles 12008: number of articles 120082023: number of articles 12023

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
Toluene · Methylbenzene
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
toluene · 108-88-3
InChIKey
YXFVVABEGXRONW-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — toluene (CAS 108-88-3)
License & provenance record
toluene (CAS 108-88-3) →
MolGod molecule record
toluene →
Source data
PubChem CID 1140 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
e53ba75f2d3e9a671e139b904435793e747d5d3b8925f4f8ace0d7cf5d0c8d7a
MD5 (STL)
cc5fbb4349d69cd77c945522bdc8ef18
MolGod Identification Number
MG_139-568-630-43
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.23277409) · NIH 3D (3DPX-023724) · Wikimedia Commons
Included in datasets: Figshare (DOI 10.6084/m9.figshare.34425396) · Harvard Dataverse (DOI 10.7910/DVN/7QALE0) · Hugging Face · OSF project index
Source structure: PubChem (CID 1140)
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