butan-1-ol

Also known as n-butyl alcohol, n-butanol, propyl carbinol, n-butan-1-ol, 1-butyl alcohol, 1-hydroxybutane, n-propyl carbinol, n-butylalkohol

1-Butanol, also known as butan-1-ol or '''n-butanol', is a primary alcohol with the chemical formula C4H9OH and a linear structure. Isomers of 1-butanol are isobutanol, butan-2-ol and tert''-butanol. The unmodified term butanol usually refers to the straight chain isomer.

OverviewAI-generated

Butan-1-ol is a chemical compound with the formula C₄H₁₀O and a molecular mass of 74.073. Its canonical SMILES notation is CCCCO. The substance has a density of 0.81 and a boiling point of 243. It exhibits a melting point range including -90.0, -129, and -89.8. The ionization energy is 10.06, while the pKa is 16.

Physical properties include a refractive index of 1.399, a dynamic viscosity of 33.79, and a speed of sound of 1258. The vapor pressure is 6, and the solubility is 9. Safety data indicates a flash point of 84, an autoignition temperature of 345, and an immediately dangerous to life or health level of 4242. Flammable limits are 1.4 and 11.2. Exposure limits are set at 300 for time-weighted average and 150 for ceiling.

According to PubChem, the compound has an xlogp of 0.9, a topological polar surface area of 20.2, and one hydrogen bond donor and acceptor. It is referenced by 2,046 other encyclopedia articles and has 4,951 associated PubMed entries.

Synthesized by Vinony from 36 facts across 4 sources: Wikidata, PubMed, PubChem, Vinony graph. Generated from structured data (not the Wikipedia text) and checked against those facts — may still contain errors.

Chemical data

Formula: C4H10O
Molecular weight: 74.12 g/mol
IUPAC name: butan-1-ol
SMILES: CCCCO
InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
XLogP: 0.9
Polar surface area: 20.2 Å²
H-bond donors: 1
H-bond acceptors: 1
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Research

4,951 papers

Biofuels combustion.Annual review of physical chemistry · 2013
Deoxyribonucleoside phosphoramidites.Current protocols in nucleic acid chemistry · 2001
Engineering E. coli to synthesize butanol.Biochemical Society transactions · 2022
Frontiers in microbial 1-butanol and isobutanol production.FEMS microbiology letters · 2016
Catalytic Upgrading of Ethanol to n-Butanol: Progress in Catalyst Development.ChemSusChem · 2018

via PubMed

Wikidata facts

Subclass of: butanol
Has part: hydrogen
Mass: 74.073
Autonomy: 345

Show 22 more facts

found in taxon: Fragaria
canonical SMILES: CCCCO
Commons category: Butan-1-ol
ionization energy: 10.04
melting point: -89.8
NIOSH Pocket Guide ID: 0076
density: 0.81
speed of sound: 1258
immediately dangerous to life or health: 4242
boiling point: 117.73
vapor pressure: 6
flash point: 84
solubility: 9
lower flammable limit: 1.4
upper flammable limit: 11.2
time-weighted average exposure limit: 300
ceiling exposure limit: 150
chemical formula: C₄H₁₀O
pKa: 16
refractive index: 1.399
dynamic viscosity: 33.79
electric dipole moment: 1.66

Sources (7)

via Wikidata · CC0

~7 min read

Encyclopedic overview

9 sections

Contents

Production
Industrial use
Biofuel
Occurrence in nature
Metabolism and toxicity
Other hazards
See also
External links
References

1-Butanol, also known as butan-1-ol or '''n-butanol', is a primary alcohol with the chemical formula C4H9OH and a linear structure. Isomers of 1-butanol are isobutanol, butan-2-ol and tert-butanol. The unmodified term butanol usually refers to the straight chain isomer.

1-Butanol occurs naturally as a minor product of the ethanol fermentation of sugars and other saccharides and is present in many foods and drinks. It is also a permitted artificial flavorant in the United States, used in butter, cream, fruit, rum, whiskey, ice cream and ices, candy, baked goods, and cordials. It is also used in a wide range of consumer products.

Excerpted from Wikipedia’s “butan-1-ol” article, available under the CC BY-SA 4.0 licence.