CHEBI:189086 - 3-methoxy-1-butanol

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ChEBI Name 3-methoxy-1-butanol
ChEBI ID CHEBI:189086
Definition A primary alcohol that is butane-1,3-diol in which the hydroxy group at position 3 is replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C5H12O2
Net Charge 0
Average Mass 104.149
Monoisotopic Mass 104.08373
InChI InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey JSGVZVOGOQILFM-UHFFFAOYSA-N
SMILES COC(C)CCO
ChEBI Ontology
Outgoing 3-methoxy-1-butanol (CHEBI:189086) has functional parent butane-1,3-diol (CHEBI:52683)
3-methoxy-1-butanol (CHEBI:189086) is a ether (CHEBI:25698)
3-methoxy-1-butanol (CHEBI:189086) is a primary alcohol (CHEBI:15734)
IUPAC Name
3-methoxybutan-1-ol
Synonyms Sources
1,3-butylene glycol 3-monomethyl ether ChEBI
3-methoxybutanol ChemIDplus
3-methoxybutyl alcohol ChEBI
Manual Xref Database
16363 ChemSpider
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Registry Numbers Types Sources
1732189 Reaxys Registry Number Reaxys
2517-43-3 CAS Registry Number ChemIDplus
2517-43-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
28628184 PubMed citation Europe PMC
573588 PubMed citation Europe PMC
Last Modified
17 January 2022