Texanol

CAS 25265-77-4  ·  C12H24O3  ·  MW 216.32 g/mol

Full record: Texanol — Safety Data Sheet →

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3D model Texanol, CAS 25265-77-4, molecular formula C12H24O3, molar mass 216.32 g/mol

Model views

  • Texanol (CAS 25265-77-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Texanol (CAS 25265-77-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Texanol (CAS 25265-77-4) – 2D structure, MolGod Viewer
    2D structure

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About Texanol

Texanol is a chemical compound registered under number CAS 25265-77-4, with the molecular formula C12H24O3, and a molar mass of 216.32 g/mol.

The molecule contains 39 atoms connected by 38 chemical bonds. The full systematic IUPAC name of this compound is (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate. 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 = 3.1 (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 formulaC12H24O3
Molar mass216.32 g/mol
IUPAC(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
SMILESCC(C)C(C(C)(C)COC(=O)C(C)C)O
InChIKeyDAFHKNAQFPVRKR-UHFFFAOYSA-N
logP (XLogP3)3.1
PSA46.5 Ų
HBD / HBA1 / 3
PubChem CIDCID 6490 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H319 — Causes serious eye irritation

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 2)

2004: number of articles 120042012: number of articles 12012

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
Texanol · 25265-77-4 · 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate · RefChem:897547 · DTXCID501778475 · NX795 · 246-771-9 · Chissocizer CS 12 · CS 12 · ID6ZZH846Y · Isobutyraldehyde Tishchenko trimer · Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol · Propionic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol · Trimethyl hydroxypentyl isobutyrate · 77-68-9
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Texanol · 25265-77-4
InChIKey
DAFHKNAQFPVRKR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Texanol (CAS 25265-77-4)
License & provenance record
Texanol (CAS 25265-77-4) →
MolGod molecule record
Texanol →
Source data
PubChem CID 6490 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
77218462e89785fe457360de39eac566ee79442b7d00f4c23738d2357c700676
MD5 (STL)
9f5e60d07bdd5c5d9f0e9c12914aa537
MolGod Identification Number
MG_388-827-160-72
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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