1-Ethenyl-3-methylbenzene

CAS 100-80-1  ·  C9H10  ·  MW 118.18 g/mol

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3D model 1-Ethenyl-3-methylbenzene, CAS 100-80-1, molecular formula C9H10, molar mass 118.18 g/mol

Model views

  • 1-Ethenyl-3-methylbenzene (CAS 100-80-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 1-Ethenyl-3-methylbenzene (CAS 100-80-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • 1-Ethenyl-3-methylbenzene (CAS 100-80-1) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • 1-Ethenyl-3-methylbenzene (CAS 100-80-1) – 2D structure, MolGod Viewer
    2D structure

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About 1-Ethenyl-3-methylbenzene

1-Ethenyl-3-methylbenzene is a chemical compound registered under number CAS 100-80-1, with the molecular formula C9H10, and a molar mass of 118.18 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 1-ethenyl-3-methylbenzene. 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 = 3.6 (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 formulaC9H10
Molar mass118.18 g/mol
IUPAC1-ethenyl-3-methylbenzene
SMILESCC1=CC(=CC=C1)C=C
InChIKeyJZHGRUMIRATHIU-UHFFFAOYSA-N
logP (XLogP3)3.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 7529 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07

H226 — Flammable liquid and vapour

H304 — May be fatal if swallowed and enters airways

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H332 — Harmful if inhaled

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 100-80-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
1-Ethenyl-3-methylbenzene · 3-Ethenylmethylbenzene · RefChem:505507 · 3-Methylstyrene · 100-80-1 · 1-Methyl-3-vinylbenzene · 3-Vinyltoluene · m-Vinyltoluene · M-METHYLSTYRENE · Benzene, 1-ethenyl-3-methyl- · Styrene, m-methyl- · meta-Methylstyrene · MFCD00008617 · FFK4I9430G · 1-ethenyl-3-methyl-benzene
Data sources
Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23517116) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 7529)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
1-Ethenyl-3-methylbenzene (CAS 100-80-1), C9H10 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

MG_505-009-140-61 · engraved · 237,916 △ · 11 MB · SHA-256 14e8820a999da4c1

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1-Ethenyl-3-methylbenzene (CAS 100-80-1), C9H10 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
1-Ethenyl-3-methylbenzene · 100-80-1
InChIKey
JZHGRUMIRATHIU-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1-Ethenyl-3-methylbenzene (CAS 100-80-1)
License & provenance record
1-Ethenyl-3-methylbenzene (CAS 100-80-1) →
MolGod molecule record
1-Ethenyl-3-methylbenzene →
Source data
PubChem CID 7529 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
40413b87eeb7435bbf9d0879e5688d0e9125a553c18d12f4b4c4413ef6cfc793
MD5 (STL)
9983c7a2677e02c9a6a8cef750fe26a9
MolGod Identification Number
MG_505-009-140-61
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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