Methyl hexanoate

CAS 106-70-7  ·  C7H14O2  ·  MW 130.18 g/mol

Full record: Methyl hexanoate — Safety Data Sheet →

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3D model Methyl hexanoate, CAS 106-70-7, molecular formula C7H14O2, molar mass 130.18 g/mol

Model views

  • Methyl hexanoate (CAS 106-70-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Methyl hexanoate (CAS 106-70-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Methyl hexanoate (CAS 106-70-7) – 2D structure, MolGod Viewer
    2D structure

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About Methyl hexanoate

Methyl hexanoate is a chemical compound registered under number CAS 106-70-7, with the molecular formula C7H14O2, and a molar mass of 130.18 g/mol.

The molecule contains 23 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is methyl hexanoate. 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 = 2.5 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 2 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 formulaC7H14O2
Molar mass130.18 g/mol
IUPACmethyl hexanoate
SMILESCCCCCC(=O)OC
InChIKeyNUKZAGXMHTUAFE-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 7824 ↗
GHS safety

Signal word: Warning

GHS02
GHS02

H226 — Flammable liquid and vapour

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)

1989: number of articles 119891992: number of articles 12003: number of articles 22020: number of articles 120202021: number of articles 22022: number of articles 12022

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
METHYL HEXANOATE · Methyl caproate · 106-70-7 · Hexanoic Acid Methyl Ester · Hexanoic acid, methyl ester · Methyl hexoate · Methyl n-hexanoate · Methyl capronate · Methyl hexylate · Caproic acid methyl ester · FEMA No. 2708 · formyl hexanoate · 246364VPJS · NSC-5023 · CHEBI:77322
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Methyl hexanoate · 106-70-7
InChIKey
NUKZAGXMHTUAFE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Methyl hexanoate (CAS 106-70-7)
License & provenance record
Methyl hexanoate (CAS 106-70-7) →
MolGod molecule record
Methyl hexanoate →
Source data
PubChem CID 7824 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
f31121c74f8a43f45e72cf6a4b85d7c63300b3273f576a8330c4cc366ee3e019
MD5 (STL)
9abdf7433d34d9a49f0a10f1745f62aa
MolGod Identification Number
MG_624-594-496-45
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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