n-Butoxy-2-propanol

CAS 5131-66-8 · C₇H₁₆O₂ · MW 132.20 g/mol

Full record: n-Butoxy-2-propanol — Safety Data Sheet →

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n-Butoxy-2-propanol (CAS 5131-66-8), C7H16O2 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL preview

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Download 3D model: n-Butoxy-2-propanol, C₇H₁₆O₂, CAS 5131-66-8 · ENGRAVED (C, H, O) · 13 MB

n-Butoxy-2-propanol (CAS 5131-66-8), C7H16O2 - 3D ball-and-stick molecular model, MolGod STL preview

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About n-Butoxy-2-propanol

n-Butoxy-2-propanol is a chemical compound registered under number CAS 5131-66-8, with the molecular formula C₇H₁₆O₂, and a molar mass of 132.20 g/mol.

The molecule contains 25 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is 1-butoxypropan-2-ol. 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 = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 29.5 Å², 1 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₇H₁₆O₂
Molar mass	132.20 g/mol
IUPAC	1-butoxypropan-2-ol
SMILES	`CCCCOCC(C)O`
InChIKey	`RWNUSVWFHDHRCJ-UHFFFAOYSA-N`
logP (XLogP3)	1.1
PSA	29.5 Å²
HBD / HBA	1 / 2
PubChem CID	CID 21210 ↗

GHS safety

Signal word: Warning

GHS07

GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Related literature

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

📈 Publication timeline (number of articles: 2)

Bar height = number of articles in a given year. Hover over a bar to see details.

🔓

Meeting report: summary of IARC monographs on formaldehyde, 2-butoxyethanol, and 1-tert-butoxy-2-propanol.

Cogliano VJ, Grosse Y, Baan RA et al. (2005) · Environmental health perspectives

Open AccessDOI ↗PubMed ↗PDF ↗

Evaluation of exposure to 1-alkoxy-2-propanols and 1-(2-methoxy-1-methylethoxy)-2-propanol by the analysis of the parent compounds in urine.

Laitinen J, Liesivuori J, Harvima R (2006) · Toxicology letters

$ PaywallDOI ↗PubMed ↗

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

Synonyms

n-Butoxy-2-propanol · RefChem:75241 · 1-Butoxy-2-propanol · 1-Butoxypropan-2-ol · 5131-66-8 · 2-PROPANOL, 1-BUTOXY- · n-Butoxypropanol · 2-Hydroxy-3-butoxypropane · Propasol solvent B · 1,2-Propylene glycol 1-monobutyl ether · Propylene Glycol 1-Monobutyl Ether · NSC 2211 · MFCD00021904 · K0MR13CZ2E · Propanol, 1(or 2)-butoxy-

Data sources

📊 PubChem CID 21210 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

1-Ethoxy-2-propanol CAS 1569-02-4 · C5H12O2 Similar structure · Tanimoto 0.57 2-Butoxyethanol CAS 111-76-2 · C6H14O2 Shared hazard H315 Diethylene glycol monobutyl ether acetate CAS 124-17-4 · C10H20O4 Similar structure · Tanimoto 0.40 2-Ethylhexyl Acetate CAS 103-09-3 · C10H20O2 Shared hazard H315 Butyl Acetate CAS 123-86-4 · C6H12O2 Similar structure · Tanimoto 0.36 Tripropylene glycol CAS 24800-44-0 · C9H20O4 Similar structure · Tanimoto 0.33

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: n-Butoxy-2-propanol · 5131-66-8
InChIKey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — n-Butoxy-2-propanol (CAS 5131-66-8)
License & provenance record: n-Butoxy-2-propanol (CAS 5131-66-8) →
MolGod molecule record: n-Butoxy-2-propanol →
Source data: PubChem CID 21210 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): a4555f4a7cc042a21803164257580980127ff1e4e164b7c421915e628dca0105
MD5 (STL): cf4e7a14c8d3840dc2a989c11bf50a8d
MolGod Identification Number: MG_716-772-692-41
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: n-Butoxy-2-propanol, C₇H₁₆O₂, CAS 5131-66-8 · NORMAL · 503 KB 📄 Download 3D model: n-Butoxy-2-propanol, C₇H₁₆O₂, CAS 5131-66-8 · ENGRAVED (C, H, O) · 13 MB

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