Diethyl Phthalate

CAS 84-66-2  ·  C12H14O4  ·  MW 222.24 g/mol

Full record: Diethyl Phthalate — Safety Data Sheet →

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3D model Diethyl Phthalate, CAS 84-66-2, molecular formula C12H14O4, molar mass 222.24 g/mol

Model views

  • Diethyl Phthalate (CAS 84-66-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Diethyl Phthalate (CAS 84-66-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Diethyl Phthalate (CAS 84-66-2) – 2D structure, MolGod Viewer
    2D structure

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About Diethyl Phthalate

Diethyl Phthalate is a chemical compound registered under number CAS 84-66-2, with the molecular formula C12H14O4, and a molar mass of 222.24 g/mol.

The molecule contains 30 atoms connected by 30 chemical bonds. The full systematic IUPAC name of this compound is diethyl benzene-1,2-dicarboxylate. 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 = 52.6 Ų, 0 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC12H14O4
Molar mass222.24 g/mol
IUPACdiethyl benzene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CC=CC=C1C(=O)OCC
InChIKeyFLKPEMZONWLCSK-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA52.6 Ų
HBD / HBA0 / 4
PubChem CIDCID 6781 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H317 — May cause an allergic skin reaction

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

H336 — May cause drowsiness or dizziness

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 9)

1995: number of articles 119951997: number of articles 12001: number of articles 12023: number of articles 320232025: number of articles 22026: number of articles 12026

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
DIETHYL PHTHALATE · 84-66-2 · Ethyl phthalate · phthalic acid diethyl ester · Anozol · diethyl benzene-1,2-dicarboxylate · Neantine · Phthalol · Solvanol · Palatinol A · Placidol E · Unimoll DA · Diethyl o-phthalate · Phthalsaeurediaethylester · o-Bis(ethoxycarbonyl)benzene
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Diethyl Phthalate · 84-66-2
InChIKey
FLKPEMZONWLCSK-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Diethyl Phthalate (CAS 84-66-2)
License & provenance record
Diethyl Phthalate (CAS 84-66-2) →
MolGod molecule record
Diethyl Phthalate →
Source data
PubChem CID 6781 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
73e6309472b9eaef58dc7353200188c20655b929f5f175598f0da85b90cd88dc
MD5 (STL)
164a60c906cce6543043cc14ea9db5a5
MolGod Identification Number
MG_318-205-460-03
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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