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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
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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