Butylparaben

CAS 94-26-8  ·  C11H14O3  ·  MW 194.23 g/mol

Full record: Butylparaben — Safety Data Sheet →

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3D model Butylparaben, CAS 94-26-8, molecular formula C11H14O3, molar mass 194.23 g/mol

Model views

  • Butylparaben (CAS 94-26-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Butylparaben (CAS 94-26-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Butylparaben (CAS 94-26-8) – 2D structure, MolGod Viewer
    2D structure

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About Butylparaben

Butylparaben is a chemical compound registered under number CAS 94-26-8, with the molecular formula C11H14O3, and a molar mass of 194.23 g/mol.

The molecule contains 28 atoms connected by 28 chemical bonds. The full systematic IUPAC name of this compound is butyl 4-hydroxybenzoate. 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 = 3.6 (positive value, a lipophilic compound), polar surface area PSA = 46.5 Ų, 1 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC11H14O3
Molar mass194.23 g/mol
IUPACbutyl 4-hydroxybenzoate
SMILESCCCCOC(=O)C1=CC=C(C=C1)O
InChIKeyQFOHBWFCKVYLES-UHFFFAOYSA-N
logP (XLogP3)3.6
PSA46.5 Ų
HBD / HBA1 / 3
PubChem CIDCID 7184 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H315 — Causes skin irritation

H318 — Causes serious eye damage

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

H412 — Harmful to aquatic life with long lasting effects

Scientific literature

Related literature

9 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 9)

2020: number of articles 120202023: number of articles 22024: number of articles 520242026: number of articles 12026

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
BUTYLPARABEN · Butyl 4-hydroxybenzoate · 94-26-8 · Butyl paraben · Butyl p-hydroxybenzoate · Butoben · Nipabutyl · Butyl chemosept · Butyl parasept · Tegosept B · Butyl tegosept · Butyl butex · Aseptoform butyl · Solbrol B · Butyl parahydroxybenzoate
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Butylparaben · 94-26-8
InChIKey
QFOHBWFCKVYLES-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Butylparaben (CAS 94-26-8)
License & provenance record
Butylparaben (CAS 94-26-8) →
MolGod molecule record
Butylparaben →
Source data
PubChem CID 7184 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
8a4f25806ec0674dd59ec54b8d1eac4c4ff920459c22c1c7a7f3bf475cb18916
MD5 (STL)
9455357eadde4e17780119962a7401a0
MolGod Identification Number
MG_787-397-743-48
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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