Pentaerythritol

CAS 115-77-5  ·  C5H12O4  ·  MW 136.15 g/mol

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3D model Pentaerythritol, CAS 115-77-5, molecular formula C5H12O4, molar mass 136.15 g/mol
About Pentaerythritol

Pentaerythritol is a chemical compound registered under number CAS 115-77-5, with the molecular formula C5H12O4, and a molar mass of 136.15 g/mol.

The molecule contains 21 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 2,2-bis(hydroxymethyl)propane-1,3-diol. 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 = -2.4 (negative value, a hydrophilic compound), polar surface area PSA = 80.9 Ų, 4 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 formulaC5H12O4
Masa molowa136.15 g/mol
IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESC(C(CO)(CO)CO)O
InChIKeyWXZMFSXDPGVJKK-UHFFFAOYSA-N
logP (XLogP3)-2.4
PSA80.9 Ų
HBD / HBA4 / 4
PubChem CIDCID 8285 ↗
GHS safety

H412 — Działa szkodliwie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

8 articles · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (8 articles)

2003: 1 articles20032008: 1 articles2010: 1 articles2012: 1 articles20122019: 1 articles2023: 1 articles2025: 2 articles2025

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

Synonyms
PENTAERYTHRITOL · 115-77-5 · 2,2-bis(hydroxymethyl)propane-1,3-diol · Pentek · Tetramethylolmethane · Auxinutril · Maxinutril · Monopentek · Pentaerythrite · Penetek · Metab-Auxil · Monopentaerythritol · Hercules P6 · Tetrakis(hydroxymethyl)methane · 2,2-Bis(hydroxymethyl)-1,3-propanediol
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
Pentaerythritol · 115-77-5
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
Pentaerythritol (CAS 115-77-5) →
MolGod molecule record
Pentaerythritol →
Source data
PubChem CID 8285 ↗
SHA-256 (STL)
cec83c6f9ba1023e64520ea3a258b9367261099abdb7f0193454f1a1fb1146ee
Wikimedia Commons
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