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Triisobutyl Phosphate

CAS 126-71-6  ·  C12H27O4P  ·  MW 266.31 g/mol

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3D model Triisobutyl phosphate, CAS 126-71-6, molecular formula C12H27O4P, molar mass 266.31 g/mol
About Triisobutyl Phosphate

Triisobutyl Phosphate is a chemical compound registered under number CAS 126-71-6, with the molecular formula C12H27O4P, and a molar mass of 266.31 g/mol.

The molecule contains 44 atoms connected by 43 chemical bonds. The full systematic IUPAC name of this compound is tris(2-methylpropyl) phosphate. 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 = 3.5 (positive value, a lipophilic compound), polar surface area PSA = 44.8 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC12H27O4P
Masa molowa266.31 g/mol
IUPACtris(2-methylpropyl) phosphate
SMILESCC(C)COP(=O)(OCC(C)C)OCC(C)C
InChIKeyHRKAMJBPFPHCSD-UHFFFAOYSA-N
logP (XLogP3)3.5
PSA44.8 Ų
HBD / HBA0 / 4
PubChem CIDCID 31355 ↗
GHS safety

Sygnał: Uwaga

GHS07
GHS07

H317 — Może powodować reakcję alergiczną skóry

Scientific literature

Literatura naukowa

2 artykułów · 0 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Timeline publikacji (2 artykułów)

1977: 1 artykułów19771999: 1 artykułów1999

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
TRIISOBUTYL PHOSPHATE · 126-71-6 · Tri-isobutylphosphate · Phosphoric acid, tris(2-methylpropyl) ester · Phosphoric acid, triisobutyl ester · 6MKE1AR3GB · NSC-62222 · DTXCID6020698 · RefChem:190784 · 204-798-3 · tris(2-methylpropyl) phosphate · Isobutyl phosphate · tri-isobutyl phosphate · Phosphoric acid tris(2-methylpropyl) ester · MFCD00039849
Data sources
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Related molecules
Sodium Dodecyl Sulfonate (SDS) CAS 2386-53-0 · C12H25NaO3S Propionic Acid CAS 79-09-4 · C3H6O2 Sodium persulfate CAS 7775-27-1 · Na₂O₈S₂ Diethylene glycol monobutyl ether CAS 112-34-5 · C8H18O3 Trichloroethylene CAS 127-18-4 · C2Cl4 Acetic anhydride CAS 108-24-7 · C4H6O3