Methyl hexanoate

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

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3D model Methyl hexanoate, CAS 106-70-7, molecular formula C7H14O2, molar mass 130.18 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H14O2
Masa molowa130.18 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 — Łatwopalna ciecz i pary

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (8 articles)

1989: 1 articles19891992: 1 articles2003: 2 articles2020: 1 articles20202021: 2 articles2022: 1 articles2022

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
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📜 License & provenanceMolGod_License_1
Model
Methyl hexanoate · 106-70-7
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
Methyl hexanoate (CAS 106-70-7) →
MolGod molecule record
Methyl hexanoate →
Source data
PubChem CID 7824 ↗
SHA-256 (STL)
01e9ade6ad9457498ee805e833511f5c5a9ad66627dae213f243b6e045bcce38
Wikimedia Commons
not published yet
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