Toluene

Toluene

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

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3D model Toluene, CAS 108-88-3, molecular formula C7H8, molar mass 92.14 g/mol
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 widget above may be used for educational, research and commercial purposes.

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

H304 — May be fatal if swallowed and enters airways

H315 — Causes skin irritation

H336 — May cause drowsiness or dizziness

? — H361d

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

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
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Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277410) · NIH 3D (3DPX-023724) · Wikimedia Commons
Source structure: PubChem (CID 1140)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
toluene (CAS 108-88-3), C7H8 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

MG_139-568-630-43 · engraved · 189,682 △ · 9 MB · SHA-256 feab11b67ae90080

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

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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 97d4498f28a7 · generated 2026-10-04
SHA-256 (STL)
525175650f39186b4badfb007699d1daeb7027d6c6ec575de70f5036ff5581a1
MD5 (STL)
4b112f6b1318fdc73ec25f3bfd7f6bee
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

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

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