4-tert-Butylbenzoic acid

4-tert-Butylbenzoic acid is a chemical compound registered under number CAS 98-73-7, with the molecular formula C₁₁H₁₄O₂, and a molar mass of 178.23 g/mol.

The molecule contains 27 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 4-tert-butylbenzoic acid. 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 = 3.9 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 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 widget above may be used for educational, research and commercial purposes.

Molecular formula	C11H14O2
Masa molowa	178.23 g/mol
IUPAC	4-tert-butylbenzoic acid
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)O
InChIKey	KDVYCTOWXSLNNI-UHFFFAOYSA-N
logP (XLogP3)	3.9
PSA	37.3 Ų
HBD / HBA	1 / 2
PubChem CID	CID 7403 ↗

Signal word: Danger

? — H360F

H302 — Działa szkodliwie po połknięciu

H372 — Powoduje uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

4-tert-Butylbenzoic acid · 98-73-7 · P-TERT-BUTYLBENZOIC ACID · TBBA · Benzoic acid, 4-(1,1-dimethylethyl)- · 4-t-butylbenzoic acid · Benzoic acid, p-tert-butyl- · Benzoic acid, 4-tert-butyl- · 43Z7T3VN0R · NSC-4802 · DTXCID8020703 · RefChem:100513 · 202-696-3 · 4-(tert-butyl)benzoic acid · 4-tert-Butyl-benzoic acid

• 📊 PubChem CID 7403 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność