Dodecylbenzenesulfonic acid

CAS 27176-87-0  ·  C₁₈H₃₀O₃S  ·  MW 326.5 g/mol

Full record: Dodecylbenzenesulfonic acid — Safety Data Sheet →

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3D model Dodecylbenzenesulfonic acid, CAS 27176-87-0, molecular formula C₁₈H₃₀O₃S, molar mass 326.5 g/mol

Model views

  • Dodecylbenzenesulfonic acid (CAS 27176-87-0) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Dodecylbenzenesulfonic acid (CAS 27176-87-0) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Dodecylbenzenesulfonic acid (CAS 27176-87-0) – 2D structure, MolGod Viewer
    2D structure

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Dodecylbenzenesulfonic acid (CAS 27176-87-0), C₁₈H₃₀O₃S - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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About Dodecylbenzenesulfonic acid

Dodecylbenzenesulfonic acid is a chemical compound registered under number CAS 27176-87-0, with the molecular formula C₁₈H₃₀O₃S, and a molar mass of 326.5 g/mol.

The molecule contains 52 atoms connected by 52 chemical bonds. The full systematic IUPAC name of this compound is 2-dodecylbenzenesulfonic 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, polar surface area PSA = 62.8 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 formulaC₁₈H₃₀O₃S
Molar mass326.5 g/mol
IUPAC2-dodecylbenzenesulfonic acid
SMILESCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
InChIKeyWBIQQQGBSDOWNP-UHFFFAOYSA-N
logP (XLogP3)—
PSA62.8 Ų
HBD / HBA1 / 3
PubChem CIDCID 25457 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS09
GHS09

H302 — Harmful if swallowed

H311 — Toxic in contact with skin

H314 — Causes severe skin burns and eye damage

H318 — Causes serious eye damage

H411 — Toxic to aquatic life with long lasting effects

H412 — Harmful to aquatic life with long lasting effects

Scientific literature

Related literature

2 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 2)

2010: number of articles 120102011: number of articles 12011

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.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Dodecylbenzenesulfonic acid · 27176-87-0
InChIKey
WBIQQQGBSDOWNP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Dodecylbenzenesulfonic acid (CAS 27176-87-0)
License & provenance record
Dodecylbenzenesulfonic acid (CAS 27176-87-0) →
MolGod molecule record
Dodecylbenzenesulfonic acid →
Source data
PubChem CID 25457 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
5663450045874571927995eac6aaeaf5d950edfa29576a97b66599b1c879a43a
MD5 (STL)
aca065b291d3c3fc353e95624388aee2
MolGod Identification Number
MG_550-282-693-63
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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