(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide

CAS 2212-81-9  ·  C20H34O4  ·  MW 338.5 g/mol

Full record: (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide — Safety Data Sheet →

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3D model (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide, CAS 2212-81-9, molecular formula C20H34O4, molar mass 338.5 g/mol

Model views

  • (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide (CAS 2212-81-9) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide (CAS 2212-81-9) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide (CAS 2212-81-9) – 2D structure, MolGod Viewer
    2D structure

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About (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide

(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide is a chemical compound registered under number CAS 2212-81-9, with the molecular formula C20H34O4, and a molar mass of 338.5 g/mol.

The molecule contains 58 atoms connected by 58 chemical bonds. The full systematic IUPAC name of this compound is 1,3-bis(2-tert-butylperoxypropan-2-yl)benzene. 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 = 4.5 (positive value, a lipophilic compound), polar surface area PSA = 36.9 Ų, 0 donors and 4 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 formulaC20H34O4
Molar mass338.5 g/mol
IUPAC1,3-bis(2-tert-butylperoxypropan-2-yl)benzene
SMILESCC(C)(C)OOC(C)(C)C1=CC(=CC=C1)C(C)(C)OOC(C)(C)C
InChIKeyUBRWPVTUQDJKCC-UHFFFAOYSA-N
logP (XLogP3)4.5
PSA36.9 Ų
HBD / HBA0 / 4
PubChem CIDCID 16654 ↗
GHS safety

Signal word: Danger

GHS02
GHS02

H242 — Heating may cause a fire

H413 — May cause long lasting harmful effects to aquatic life

Scientific literature

Brak articles naukowych dla CAS 2212-81-9 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
1,3-BIS(TERT-BUTYLPEROXYISOPROPYL)BENZENE · EINECS 218-664-7 · EC 218-664-7 · (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide · [1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide · RefChem:391412 · 218-664-7 · 2212-81-9 · 1,3-bis(2-tert-butylperoxypropan-2-yl)benzene · 1,3-bis(t-butylperoxyisopropyl)benzene · Peroxide,1,1'-[1,3-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) · 1,1'-[1,3-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide] · PERKADOX 14/40 · 1,3-Di(tert-butylperoxyisopropyl)benzene · 1,3-Bis(1-tert-butyldioxy-1-methylethyl)benzene
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide · 2212-81-9
InChIKey
UBRWPVTUQDJKCC-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide (CAS 2212-81-9)
License & provenance record
(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide (CAS 2212-81-9) →
MolGod molecule record
(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide →
Source data
PubChem CID 16654 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
531a89f750933604cd782b1d34584521c7870b7d33bf244898183bbb037e2abd
MD5 (STL)
deabda1d534d3d07cafbaf43c2d582a9
MolGod Identification Number
MG_158-120-979-44
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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