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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:52683 - butane-1,3-diol
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ChEBI Name
butane-1,3-diol
ChEBI ID
CHEBI:52683
Definition
A butanediol compound having two hydroxy groups in the 1- and 3-positions.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Ulrike Wittig
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Formula
C4H10O2
Net Charge
0
Average Mass
90.12100
Monoisotopic Mass
90.06808
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChIKey
PUPZLCDOIYMWBV-UHFFFAOYSA-N
SMILES
CC(O)CCO
ChEBI Ontology
Outgoing
butane-1,3-diol (
CHEBI:52683
)
is a
butanediol (
CHEBI:52684
)
butane-1,3-diol (
CHEBI:52683
)
is a
glycol (
CHEBI:13643
)
Incoming
1,3-dihydroxybutan-2-one (
CHEBI:143962
)
has functional parent
butane-1,3-diol (
CHEBI:52683
)
3-methoxy-1-butanol (
CHEBI:189086
)
has functional parent
butane-1,3-diol (
CHEBI:52683
)
(
R
)-butane-1,3-diol (
CHEBI:52687
)
is a
butane-1,3-diol (
CHEBI:52683
)
(
S
)-butane-1,3-diol (
CHEBI:52688
)
is a
butane-1,3-diol (
CHEBI:52683
)
IUPAC Name
butane-1,3-diol
Synonyms
Sources
(RS)-1,3-Butandiol
ChemIDplus
1,3 Butylene glycol
ChemIDplus
1,3-Butandiol
ChemIDplus
1,3-Butanediol
SUBMITTER
1,3-Butylene glycol
ChemIDplus
1,3-Butylenglykol
ChemIDplus
1,3-Dihydroxybutane
ChemIDplus
1-Methyl-1,3-propanediol
ChemIDplus
beta-Butylene glycol
ChemIDplus
Butane-1,3-diol
ChemIDplus
Methyltrimethylene glycol
NIST Chemistry WebBook
Manual Xrefs
Databases
1,3-Butanediol
Wikipedia
CPD-12276
MetaCyc
HMDB0031320
HMDB
View more database links
Registry Numbers
Types
Sources
107-88-0
CAS Registry Number
NIST Chemistry WebBook
107-88-0
CAS Registry Number
ChemIDplus
1718945
Beilstein Registry Number
Beilstein
1718945
Reaxys Registry Number
Reaxys
2409
Gmelin Registry Number
Gmelin
Citation
Type
Source
7455861
PubMed citation
Europe PMC
Last Modified
17 January 2022