CHEBI:28885 - butan-1-ol

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ChEBI Name butan-1-ol
ChEBI ID CHEBI:28885
Definition A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39632, CHEBI:22936, CHEBI:612
Supplier Information ChemicalBook:CB8922249
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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. The largest use of 1-butanol is as an industrial intermediate, particularly for the manufacture of butyl acetate (itself an artificial flavorant and industrial solvent). It is a petrochemical derived from propylene. Estimated production figures for 1997 are: United States 784,000 tonnes; Western Europe 575,000 tonnes; Japan 225,000 tonnes.
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Formula C4H10O
Net Charge 0
Average Mass 74.12160
Monoisotopic Mass 74.07316
InChI InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey LRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES CCCCO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
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ChEBI Ontology
Outgoing butan-1-ol (CHEBI:28885) has role human metabolite (CHEBI:77746)
butan-1-ol (CHEBI:28885) has role mouse metabolite (CHEBI:75771)
butan-1-ol (CHEBI:28885) has role protic solvent (CHEBI:48356)
butan-1-ol (CHEBI:28885) is a alkyl alcohol (CHEBI:50584)
butan-1-ol (CHEBI:28885) is a primary alcohol (CHEBI:15734)
butan-1-ol (CHEBI:28885) is a short-chain primary fatty alcohol (CHEBI:157770)
Incoming 4-chlorobutanol (CHEBI:87310) has functional parent butan-1-ol (CHEBI:28885)
n-butyl oleate (CHEBI:82946) has functional parent butan-1-ol (CHEBI:28885)
butamben (CHEBI:3231) has functional parent butan-1-ol (CHEBI:28885)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) has functional parent butan-1-ol (CHEBI:28885)
butyl acetate (CHEBI:31328) has functional parent butan-1-ol (CHEBI:28885)
butyl acrylate (CHEBI:3245) has functional parent butan-1-ol (CHEBI:28885)
butyl anthranilate (CHEBI:86192) has functional parent butan-1-ol (CHEBI:28885)
butyl butanoate (CHEBI:87429) has functional parent butan-1-ol (CHEBI:28885)
butyl butyryllactate (CHEBI:168668) has functional parent butan-1-ol (CHEBI:28885)
butyl dec-9-enoate (CHEBI:87291) has functional parent butan-1-ol (CHEBI:28885)
butyl formate (CHEBI:88514) has functional parent butan-1-ol (CHEBI:28885)
butyl hexanoate (CHEBI:89561) has functional parent butan-1-ol (CHEBI:28885)
butyl octanoate (CHEBI:87380) has functional parent butan-1-ol (CHEBI:28885)
butyl propionate (CHEBI:89831) has functional parent butan-1-ol (CHEBI:28885)
dibutyl phthalate (CHEBI:34687) has functional parent butan-1-ol (CHEBI:28885)
Monobutylphthalate (CHEBI:88522) has functional parent butan-1-ol (CHEBI:28885)
IUPAC Name
butan-1-ol
Synonyms Sources
1-Butanol KEGG COMPOUND
1-BUTANOL PDBeChem
1-butyl alcohol NIST Chemistry WebBook
1-hydroxybutane NIST Chemistry WebBook
BuOH IUPAC
butan-1-ol UniProt
n-butan-1-ol NIST Chemistry WebBook
n-Butanol KEGG COMPOUND
n-butyl alcohol ChemIDplus
n-Butylalkohol ChEBI
propyl carbinol ChemIDplus
Manual Xrefs Databases
1309 PPDB
1BO PDBeChem
BUTANOL MetaCyc
C06142 KEGG COMPOUND
D03200 KEGG DRUG
DB02145 DrugBank
HMDB0004327 HMDB
N-Butanol Wikipedia
View more database links
Registry Numbers Types Sources
25753 Gmelin Registry Number Gmelin
71-36-3 CAS Registry Number ChemIDplus
71-36-3 CAS Registry Number NIST Chemistry WebBook
969148 Reaxys Registry Number Reaxys
Citations
Last Modified
06 September 2021