Squalene (CAS 111-02-4)

Squalene

CAS 111-02-4  ·  C30H50  ·  MW 410.7 g/mol

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Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Squalene, CAS 111-02-4, molecular formula C30H50, molar mass 410.7 g/mol
About Squalene (CAS 111-02-4)

Squalene (CAS 111-02-4) is a chemical compound registered under number CAS 111-02-4, with the molecular formula C30H50, and a molar mass of 410.7 g/mol.

The molecule contains 80 atoms connected by 79 chemical bonds. The full systematic IUPAC name of this compound is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene. 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 = 11.6 (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 formulaC30H50
Molar mass410.7 g/mol
IUPAC(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
InChIKeyYYGNTYWPHWGJRM-AAJYLUCBSA-N
logP (XLogP3)11.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 638072 ↗
GHS safety

Signal word: Danger

GHS08
GHS08

H304 — May be fatal if swallowed and enters airways

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 20)

1987: number of articles 119872015: number of articles 12017: number of articles 12020: number of articles 120202025: number of articles 12026: number of articles 152026

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
squalene · 111-02-4 · Spinacene · trans-Squalene · All-trans-Squalene · (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene · Spinacen · Nikko Squalane EX · Super Squalene · (All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene · 7QWM220FJH · CHEBI:15440 · 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene · 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- · Squalen
Data sources
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📜 License & provenanceMolGod_License_1
Squalene (CAS 111-02-4), C30H50 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

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Squalene (CAS 111-02-4), C30H50 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Squalene · 111-02-4
InChIKey
YYGNTYWPHWGJRM-AAJYLUCBSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Squalene (CAS 111-02-4)
License & provenance record
Squalene (CAS 111-02-4) →
MolGod molecule record
Squalene →
Source data
PubChem CID 638072 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 2ea9a8c82836 · generated 2026-10-23
SHA-256 (STL)
5122121090d63121d1a87160475a8bd9b84e303ae3fe8aa70a242318cf004159
MD5 (STL)
c713ac27a7ed5d84cdbe9ba96a239aa3
Model identifier
MG-STL-111-02-4
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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