1,4-Butanediol

CAS 110-63-4  ·  C4H10O2  ·  MW 90.12 g/mol

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3D model 1,4-Butanediol, CAS 110-63-4, molecular formula C4H10O2, molar mass 90.12 g/mol
About 1,4-Butanediol

1,4-Butanediol is a chemical compound registered under number CAS 110-63-4, with the molecular formula C4H10O2, and a molar mass of 90.12 g/mol.

The molecule contains 16 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is butane-1,4-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 = -0.8 (negative value, a hydrophilic compound), polar surface area PSA = 40.5 Ų, 2 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 formulaC4H10O2
Masa molowa90.12 g/mol
IUPACbutane-1,4-diol
SMILESC(CCO)CO
InChIKeyWERYXYBDKMZEQL-UHFFFAOYSA-N
logP (XLogP3)-0.8
PSA40.5 Ų
HBD / HBA2 / 2
PubChem CIDCID 8064 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H336 — Może wywoływać uczucie senności lub zawroty głowy

Scientific literature

Related literature

10 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (10 articles)

1996: 2 articles19962011: 1 articles2014: 1 articles2020: 1 articles20202023: 3 articles2024: 2 articles2024

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
1,4-BUTANEDIOL · Butane-1,4-diol · 110-63-4 · Tetramethylene glycol · 1,4-Butylene glycol · 1,4-Dihydroxybutane · 1,4-Tetramethylene glycol · Sucol B · Tetramethylene 1,4-diol · DIOL 14B · 1,4-BD · Agrisynth B1D · 7XOO2LE6G3 · NSC-406696 · DTXCID804666
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
1,4-Butanediol — CAS 110-63-4

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
1,4-Butanediol (CAS 110-63-4) — License & Provenance

Source:
1,4-Butanediol (CAS 110-63-4) — MolGod molecule record

Source data: PubChem CID 8064

STL: Download 3D model (320 KB)

SHA-256: 1fad257b51706c12770332b528aef954e0a49041b23c562c0073f37d24c413a6

Wikimedia Commons: not published yet

Source data: PubChem CID 8064

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