Ethanol, 2-ethoxy-, propanoate

CAS 14272-48-1  ·  C₇H₁₆O₄  ·  MW 164.20 g/mol

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3D model Ethanol, 2-ethoxy-, propanoate, CAS 14272-48-1, molecular formula C₇H₁₆O₄, molar mass 164.20 g/mol

Model views

  • Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1) – 2D structure, MolGod Viewer
    2D structure

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About Ethanol, 2-ethoxy-, propanoate

Ethanol, 2-ethoxy-, propanoate is a chemical compound registered under number CAS 14272-48-1, with the molecular formula C₇H₁₆O₄, and a molar mass of 164.20 g/mol.

The molecule contains 27 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is 2-ethoxyethanol;propanoic acid. 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, polar surface area PSA = 66.8 Ų, 2 donors and 4 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 formulaC₇H₁₆O₄
Molar mass164.20 g/mol
IUPAC2-ethoxyethanol;propanoic acid
SMILESCCC(=O)O.CCOCCO
InChIKeyOPZOJJICKVTDSR-UHFFFAOYSA-N
logP (XLogP3)—
PSA66.8 Ų
HBD / HBA2 / 4
PubChem CIDCID 71354268 ↗
Scientific literature

Related literature

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

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
14272-48-1 · Propanoic acid--2-ethoxyethan-1-ol (1/1) · Ethanol, 2-ethoxy-, propanoate · SCHEMBL9632274 · Ethylene glycol monoethyl ether propionate (ECP)
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/71354268
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1), C₇H₁₆O₄ - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG-STL-14272-48-1-ENGRAVED · 311,440 △ · 15 MB · SHA-256 a47fbcde62060923

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Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1), C₇H₁₆O₄ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Ethanol, 2-ethoxy-, propanoate · 14272-48-1
InChIKey
OPZOJJICKVTDSR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1)
License & provenance record
Ethanol, 2-ethoxy-, propanoate (CAS 14272-48-1) →
MolGod molecule record
Ethanol, 2-ethoxy-, propanoate →
Source data
PubChem CID 71354268 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
cc7774e979fd71c8fcd5f6f0f4245f271964c10f894d2e42c77aa5b9cfe531ce
MD5 (STL)
e2f10894217bd3d16719bfc84752a104
Model identifier
MG-STL-14272-48-1
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

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

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