Di-tert-butyl peroxide

CAS 110-05-4  ·  C8H18O2  ·  MW 146.23 g/mol

Full record: Di-tert-butyl peroxide — Safety Data Sheet →

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3D model Di-tert-butyl peroxide, CAS 110-05-4, molecular formula C8H18O2, molar mass 146.23 g/mol

Model views

  • Di-tert-butyl peroxide (CAS 110-05-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Di-tert-butyl peroxide (CAS 110-05-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Di-tert-butyl peroxide (CAS 110-05-4) – 2D structure, MolGod Viewer
    2D structure

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About Di-tert-butyl peroxide

Di-tert-butyl peroxide is a chemical compound registered under number CAS 110-05-4, with the molecular formula C8H18O2, and a molar mass of 146.23 g/mol.

The molecule contains 28 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 2-tert-butylperoxy-2-methylpropane. 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 = 2.1 (positive value, a lipophilic compound), polar surface area PSA = 18.5 Ų, 0 donors and 2 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 formulaC8H18O2
Molar mass146.23 g/mol
IUPAC2-tert-butylperoxy-2-methylpropane
SMILESCC(C)(C)OOC(C)(C)C
InChIKeyLSXWFXONGKSEMY-UHFFFAOYSA-N
logP (XLogP3)2.1
PSA18.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 8033 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS08
GHS08

H225 — Highly flammable liquid and vapour

H242 — Heating may cause a fire

H341 — Suspected of causing genetic defects

Scientific literature

Related literature

5 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 5)

1948: number of articles 119482009: number of articles 12014: number of articles 120142015: number of articles 12023: 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
Di-tert-butyl peroxide · 110-05-4 · tert-Butyl peroxide · t-Butyl peroxide · DTBP · Trigonox B · Cadox TBP · Cadox · Kayabutyl D · Perbutyl D · Interox DTB · tert-Butylperoxide · Peroxide, bis(1,1-dimethylethyl) · Bis(tert-butyl) peroxide · Di-tert-butylperoxid
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Di-tert-butyl peroxide · 110-05-4
InChIKey
LSXWFXONGKSEMY-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Di-tert-butyl peroxide (CAS 110-05-4)
License & provenance record
Di-tert-butyl peroxide (CAS 110-05-4) →
MolGod molecule record
Di-tert-butyl peroxide →
Source data
PubChem CID 8033 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
4ab226e8038b1347ca5e658af82202d14d1f9ddafd227465e03ffcd645229fcb
MD5 (STL)
d21795d5a6b0b7189d2f8eb61c72a2eb
MolGod Identification Number
MG_730-865-680-79
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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