Thymol

CAS 89-83-8  ·  C10H14O  ·  MW 150.22 g/mol

Full record: Thymol — Safety Data Sheet →

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3D model Thymol, CAS 89-83-8, molecular formula C10H14O, molar mass 150.22 g/mol

Model views

  • Thymol (CAS 89-83-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Thymol (CAS 89-83-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Thymol (CAS 89-83-8) – 2D structure, MolGod Viewer
    2D structure

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About Thymol

Thymol is a chemical compound registered under number CAS 89-83-8, with the molecular formula C10H14O, and a molar mass of 150.22 g/mol.

The molecule contains 25 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is 5-methyl-2-propan-2-ylphenol. 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 = 3.3 (positive value, a lipophilic compound), polar surface area PSA = 20.2 Ų, 1 donors and 1 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 formulaC10H14O
Molar mass150.22 g/mol
IUPAC5-methyl-2-propan-2-ylphenol
SMILESCC1=CC(=C(C=C1)C(C)C)O
InChIKeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
logP (XLogP3)3.3
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 6989 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS09
GHS09

H302 — Harmful if swallowed

H314 — Causes severe skin burns and eye damage

H411 — Toxic to aquatic life with long lasting effects

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 7)

2024: number of articles 420242025: number of articles 220252026: 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
THYMOL · 89-83-8 · 2-Isopropyl-5-methylphenol · 5-Methyl-2-(1-methylethyl)phenol · Thyme camphor · 5-Methyl-2-isopropylphenol · 6-Isopropyl-m-cresol · 3-p-Cymenol · m-Thymol · p-Cymen-3-ol · 3-Hydroxy-p-cymene · Thymic acid · 6-Isopropyl-3-methylphenol · Phenol, 5-methyl-2-(1-methylethyl)- · Isopropyl cresol
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Thymol · 89-83-8
InChIKey
MGSRCZKZVOBKFT-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Thymol (CAS 89-83-8)
License & provenance record
Thymol (CAS 89-83-8) →
MolGod molecule record
Thymol →
Source data
PubChem CID 6989 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
dd480f7f30fd467a6d162c280b7f0384c5ff60ad51eeb34882ab6465f9aa62ea
MD5 (STL)
cfb243d285f0c3f31f2e1d557e621129
MolGod Identification Number
MG_196-080-296-93
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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