Capsaicin (CAS 404-86-4)

Capsaicin

CAS 404-86-4  ·  C18H27NO3  ·  MW 305.4 g/mol

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Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Capsaicin, CAS 404-86-4, molecular formula C18H27NO3, molar mass 305.4 g/mol

Model views

  • Capsaicin (CAS 404-86-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Capsaicin (CAS 404-86-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Capsaicin (CAS 404-86-4) – 2D structure, MolGod Viewer
    2D structure

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About Capsaicin (CAS 404-86-4)

Capsaicin (CAS 404-86-4) is a chemical compound registered under number CAS 404-86-4, with the molecular formula C18H27NO3, and a molar mass of 305.4 g/mol.

The molecule contains 49 atoms connected by 49 chemical bonds. The full systematic IUPAC name of this compound is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide. 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 = 58.6 Ų, 2 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 formulaC18H27NO3
Molar mass305.4 g/mol
IUPAC(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
SMILESCC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChIKeyYKPUWZUDDOIDPM-SOFGYWHQSA-N
logP (XLogP3)3.6
PSA58.6 Ų
HBD / HBA2 / 3
PubChem CIDCID 1548943 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS08
GHS08

H302 — Harmful if swallowed

H315 — Causes skin irritation

H318 — Causes serious eye damage

H301 — Toxic if swallowed

H317 — May cause an allergic skin reaction

H319 — Causes serious eye irritation

H334 — May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 — May cause respiratory irritation

Scientific literature

Related literature

8 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 8)

1999: number of articles 119992007: number of articles 12010: number of articles 12024: number of articles 120242025: number of articles 32026: 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
Capsaicin · 404-86-4 · Zostrix · CAPSAICINE · trans-Capsaicin · Qutenza · Styptysat · Axsain · Ausanil · Isodecenoic acid vanillylamide · trans-8-Methyl-N-vanillyl-6-nonenamide · Mioton · NGX-4010 · Dolenon · Ovocap
Data sources
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Related molecules
📜 License & provenanceMolGod_License_1
Capsaicin (CAS 404-86-4), C18H27NO3 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

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Model
Capsaicin · 404-86-4
InChIKey
YKPUWZUDDOIDPM-SOFGYWHQSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Capsaicin (CAS 404-86-4)
License & provenance record
Capsaicin (CAS 404-86-4) →
MolGod molecule record
Capsaicin →
Source data
PubChem CID 1548943 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
987cbc87ec69a650abe1df302818bcd3e0700350dd35576d049b78101eb3028b
MD5 (STL)
5503a7a768e35699249d7803f8d0112c
MolGod Identification Number
MG_632-737-220-62
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23689689) · NIH 3D (3DPX-023801) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 1548943)
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