Styrene

CAS 100-42-5  ·  C8H8  ·  MW 104.15 g/mol

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3D model Styrene, CAS 100-42-5, molecular formula C8H8, molar mass 104.15 g/mol

Model views

  • Styrene (CAS 100-42-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Styrene (CAS 100-42-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Styrene (CAS 100-42-5) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Styrene (CAS 100-42-5) – 2D structure, MolGod Viewer
    2D structure

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About Styrene

Styrene is a chemical compound registered under number CAS 100-42-5, with the molecular formula C8H8, and a molar mass of 104.15 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is styrene. 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 = 2.9 (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 formulaC8H8
Molar mass104.15 g/mol
IUPACstyrene
SMILESC=CC1=CC=CC=C1
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N
logP (XLogP3)2.9
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 7501 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08

H226 — Flammable liquid and vapour

? — H361d

H332 — Harmful if inhaled

H372 — Causes damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Related literature

16 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 16)

2020: number of articles 120202022: number of articles 12023: number of articles 12024: number of articles 120242025: number of articles 32026: number of articles 22026

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
STYRENE · 100-42-5 · Ethenylbenzene · Phenylethylene · Vinylbenzene · Styrol · Cinnamene · Styrene monomer · Benzene, ethenyl- · Phenylethene · Styrolene · Phenethylene · Vinylbenzol · Styrole · Vinyl benzene
Data sources
Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23447234) · Wikimedia Commons
Included in datasets: OSF project index
Source structure: PubChem (CID 7501)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
styrene (CAS 100-42-5), C8H8 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

MG_699-410-893-27 · engraved · 205,678 △ · 10 MB · SHA-256 25f1baa0db06b243

Download 3D model · ENGRAVED · C H

styrene (CAS 100-42-5), C8H8 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_699-410-893-27 · normal · 7,040 △ · 344 KB · SHA-256 94d505b1c9f1feb4

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Model
styrene · 100-42-5
InChIKey
PPBRXRYQALVLMV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — styrene (CAS 100-42-5)
License & provenance record
styrene (CAS 100-42-5) →
MolGod molecule record
styrene →
Source data
PubChem CID 7501 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
94d505b1c9f1feb4d5eb6b2c0274f0f0800b1bbaae963678a6bb50be594ebd34
MD5 (STL)
13fc66659aee377c440f0518fd817762
MolGod Identification Number
MG_699-410-893-27
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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