Propylene Glycol Diacetate

CAS 623-84-7  ·  C7H12O4  ·  MW 160.17 g/mol

Full record: Propylene Glycol Diacetate — Safety Data Sheet →

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3D model Propylene Glycol Diacetate, CAS 623-84-7, molecular formula C7H12O4, molar mass 160.17 g/mol

Model views

  • Propylene Glycol Diacetate (CAS 623-84-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Propylene Glycol Diacetate (CAS 623-84-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Propylene Glycol Diacetate (CAS 623-84-7) – 2D structure, MolGod Viewer
    2D structure

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Propylene Glycol Diacetate (CAS 623-84-7), C7H12O4 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

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About Propylene Glycol Diacetate

Propylene Glycol Diacetate is a chemical compound registered under number CAS 623-84-7, with the molecular formula C7H12O4, and a molar mass of 160.17 g/mol.

The molecule contains 23 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is 2-acetyloxypropyl 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 = 0.7 (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 formulaC7H12O4
Molar mass160.17 g/mol
IUPAC2-acetyloxypropyl acetate
SMILESCC(COC(=O)C)OC(=O)C
InChIKeyMLHOXUWWKVQEJB-UHFFFAOYSA-N
logP (XLogP3)0.7
PSA52.6 Ų
HBD / HBA0 / 4
PubChem CIDCID 12198 ↗
Scientific literature

Related literature

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

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📈 Publication timeline (number of articles: 4)

2004: number of articles 120042012: number of articles 12012

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
Propylene glycol diacetate · 623-84-7 · Propyleneglycol diacetate · 1,2-PROPYLENE DIACETATE · 1,2-Propanediol, diacetate · 1-(acetyloxy)propan-2-yl acetate · 1,2-Propanediol, 1,2-diacetate · NSC 75843 · HSDB 5507 · EINECS 210-817-6 · Propane-1,2-diol diacetate · UNII-5Z492UNF9O · NSC-75843 · BRN 1768914 · FEMA NO. 4464
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Propylene Glycol Diacetate · 623-84-7
InChIKey
MLHOXUWWKVQEJB-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Propylene Glycol Diacetate (CAS 623-84-7)
License & provenance record
Propylene Glycol Diacetate (CAS 623-84-7) →
MolGod molecule record
Propylene Glycol Diacetate →
Source data
PubChem CID 12198 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
fab55f23bc84ecc167e4ed3823055c4474e58d2e2a1210a001cc7ba1fd71de5f
MD5 (STL)
41cd3c2b29c38dbcaf416c877e744791
MolGod Identification Number
MG_373-777-441-94
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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