Butyl Acetate

CAS 123-86-4  ·  C6H12O2  ·  MW 116.16 g/mol

Loading molecule...
3D model Butyl Acetate, CAS 123-86-4, molecular formula C6H12O2, molar mass 116.16 g/mol
About Butyl Acetate

Butyl Acetate is a chemical compound registered under number CAS 123-86-4, with the molecular formula C6H12O2, and a molar mass of 116.16 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is butyl acetate. 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 = 1.8 (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 formulaC6H12O2
Masa molowa116.16 g/mol
IUPACbutyl acetate
SMILESCCCCOC(=O)C
InChIKeyDKPFZGUDAPQIHT-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 31272 ↗
GHS safety

Signal word: Warning

GHS02
GHS02
GHS07
GHS07

H226 — Łatwopalna ciecz i pary

H336 — Może wywoływać uczucie senności lub zawroty głowy

EUH066 — Powtarzające się narażenie może powodować wysuszanie lub pękanie skóry

Scientific literature

Related literature

4 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (4 articles)

2020: 1 articles20202022: 2 articles20222023: 1 articles2023

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
Butyl acetate · 123-86-4 · N-BUTYL ACETATE · Acetic acid, butyl ester · Butyl ethanoate · 1-Butyl acetate · Acetic Acid Butyl Ester · n-Butyl ethanoate · Butylacetat · Acetate de butyle · Acetic acid n-butyl ester · Butylacetaten · 1-acetoxybutane · Octan n-butylu · Butyle (acetate de)
Data sources
Related molecules
—
📜 License & provenanceMolGod_License_1
Model
Butyl Acetate · 123-86-4
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
Butyl Acetate (CAS 123-86-4) →
MolGod molecule record
Butyl Acetate →
Source data
PubChem CID 31272 ↗
SHA-256 (STL)
2b90df77f202eeeb6dc7eb95b51fa5c063b555af5d8a8bcd6a3426d1adb89fcd
Wikimedia Commons
not published yet
📄 Download 3D model (402 KB)

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.