|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:appearance
|
colorless, viscous liquid
|
|
gptkbp:boilingPoint
|
230 °C
|
|
gptkbp:CASNumber
|
110-63-4
|
|
gptkbp:chemicalFormula
|
C4H10O2
|
|
gptkbp:country_of_regulation
|
gptkb:Australia
gptkb:United_Kingdom
gptkb:United_States
|
|
gptkbp:density
|
1.017 g/cm³
|
|
gptkbp:EC_number
|
203-786-5
|
|
gptkbp:hasInChIKey
|
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
WQZGKKKJIJFFOK-UHFFFAOYSA-N
|
|
gptkbp:hasSMILES
|
C(CCO)CO
|
|
gptkbp:IUPACName
|
butane-1,4-diol
|
|
gptkbp:KEGGID
|
C01703
|
|
gptkbp:meltingPoint
|
20.1 °C
|
|
gptkbp:metabolism
|
gamma-hydroxybutyric acid
|
|
gptkbp:molecularWeight
|
90.12 g/mol
|
|
gptkbp:predecessor
|
gptkb:tetrahydrofuran
gptkb:polybutylene_terephthalate
gamma-butyrolactone
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL418
8064
16962
|
|
gptkbp:regulation_status
|
controlled substance in some countries
|
|
gptkbp:relatedTo
|
gptkb:tetrahydrofuran
gamma-hydroxybutyric acid
gamma-butyrolactone
|
|
gptkbp:riskFactor
|
toxic if ingested
CNS depressant
can be abused as a recreational drug
|
|
gptkbp:routeOfAdministration
|
oral
inhalation
intravenous
|
|
gptkbp:solubility
|
miscible
|
|
gptkbp:synthesisType
|
Davy process
Reppe process
hydrogenation of succinic acid
|
|
gptkbp:UNII
|
Q50X9P7VP7
|
|
gptkbp:uses
|
gptkb:solvent
gptkb:plastic
pharmaceuticals
polymer production
industrial chemical intermediate
precursor to gamma-butyrolactone
precursor to tetrahydrofuran
|
|
gptkbp:bfsParent
|
gptkb:GBL
|
|
gptkbp:bfsLayer
|
7
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
1,4-Butanediol
|