CHEBI:87345 - 1,4-diacetoxybutane

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ChEBI Name 1,4-diacetoxybutane
ChEBI ID CHEBI:87345
Definition An acetate ester obtained by the formal condensation of the two hydroxy groups of butane-1,4-diol with two molecules of acetic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H14O4
Net Charge 0
Average Mass 174.19440
Monoisotopic Mass 174.08921
InChI InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
InChIKey XUKSWKGOQKREON-UHFFFAOYSA-N
SMILES CC(=O)OCCCCOC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 1,4-diacetoxybutane (CHEBI:87345) has functional parent butane-1,4-diol (CHEBI:41189)
1,4-diacetoxybutane (CHEBI:87345) has role metabolite (CHEBI:25212)
1,4-diacetoxybutane (CHEBI:87345) is a acetate ester (CHEBI:47622)
IUPAC Name
butane-1,4-diyl diacetate
Synonym Source
Tetramethylene diacetate ChemIDplus
Registry Numbers Types Sources
1768757 Reaxys Registry Number Reaxys
628-67-1 CAS Registry Number ChemIDplus
628-67-1 CAS Registry Number NIST Chemistry WebBook
Last Modified
01 September 2015