Tris(2,4-di-tert-butylphenyl) phosphite

Tris(2,4-di-tert-butylphenyl) phosphite is a chemical compound registered under number CAS 31570-04-4, with the molecular formula C₄₂H₆₃O₃P, and a molar mass of 646.9 g/mol.

The molecule contains 109 atoms connected by 111 chemical bonds. The full systematic IUPAC name of this compound is tris(2,4-ditert-butylphenyl) phosphite. 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 = 15.5 (positive value, a lipophilic compound), polar surface area PSA = 27.7 Ų, 0 donors and 3 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.

Molecular formula	C42H63O3P
Masa molowa	646.9 g/mol
IUPAC	tris(2,4-ditert-butylphenyl) phosphite
SMILES	CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIKey	JKIJEFPNVSHHEI-UHFFFAOYSA-N
logP (XLogP3)	15.5
PSA	27.7 Ų
HBD / HBA	0 / 3
PubChem CID	CID 91601 ↗

31570-04-4 · Tris(2,4-di-tert-butylphenyl) phosphite · Tris(2,4-ditert-butylphenyl) phosphite · Tris(2,4-di-tert-Butylphenyl)phosphite · 834E5H0LFF · IRGAFOS-168 · Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1) · DOVERPHOS S 480 · EVERFOS 168 · tris-(2,4-di-tert-butylphenyl) phosphite · JP-650 · 250-709-6 · RefChem:900160 · DTXCID907969 · Irgafos 168

• 📊 PubChem CID 91601 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność