|
gptkbp:instanceOf
|
gptkb:chemical_compound
phenol
|
|
gptkbp:appearance
|
white crystalline solid
|
|
gptkbp:aroma
|
slight phenolic
|
|
gptkbp:boilingPoint
|
245 °C
|
|
gptkbp:CASNumber
|
120-80-9
|
|
gptkbp:chemicalFormula
|
C6H6O2
|
|
gptkbp:density
|
1.344 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Robert_Scherer
|
|
gptkbp:discoveredIn
|
1839
|
|
gptkbp:EC_number
|
204-427-5
|
|
gptkbp:Gmelin_number
|
825
|
|
gptkbp:hasInChIKey
|
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
|
|
gptkbp:hasSMILES
|
C1=CC(=C(C=C1)O)O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
catechol
|
|
gptkbp:IUPACName
|
benzene-1,2-diol
|
|
gptkbp:KEGGID
|
C01837
|
|
gptkbp:meltingPoint
|
104 °C
|
|
gptkbp:molecularWeight
|
110.11 g/mol
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL1082
289
CHEBI:27856
|
|
gptkbp:relatedTo
|
gptkb:hydroquinone
resorcinol
|
|
gptkbp:riskFactor
|
toxic
|
|
gptkbp:solubility
|
soluble
|
|
gptkbp:structure
|
benzene ring with two adjacent hydroxyl groups
|
|
gptkbp:UNII
|
8EH13O2JO1
|
|
gptkbp:uses
|
antioxidant
photographic developer
precursor to pharmaceuticals
precursor to pesticides
|
|
gptkbp:bfsParent
|
gptkb:urushiol
|
|
gptkbp:bfsLayer
|
6
|