|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:acidity_(pKa)
|
9.95
|
|
gptkbp:appearance
|
colorless to white solid
|
|
gptkbp:aroma
|
sweet and tarry
|
|
gptkbp:boilingPoint
|
181.7 °C
|
|
gptkbp:CASNumber
|
108-95-2
|
|
gptkbp:category
|
endocrine disruptors
disinfectants
phenols
environmental toxins
precursor chemicals
aromatic alcohols
|
|
gptkbp:ChEMBL_ID
|
gptkb:CHEMBL277500
|
|
gptkbp:chemicalFormula
|
C6H5OH
|
|
gptkbp:density
|
1.07 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Friedlieb_Ferdinand_Runge
|
|
gptkbp:discoveredIn
|
1834
|
|
gptkbp:flammability
|
combustible
|
|
gptkbp:GHSClassification
|
skull and crossbones
corrosive
|
|
gptkbp:hasInChIKey
|
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
|
|
gptkbp:hasSMILES
|
c1ccccc1O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Phenol
|
|
gptkbp:IUPACName
|
phenol
|
|
gptkbp:KEGG_ID
|
C01574
|
|
gptkbp:meltingPoint
|
40.5 °C
|
|
gptkbp:MeSH_ID
|
D010568
|
|
gptkbp:molecularWeight
|
94.11 g/mol
|
|
gptkbp:otherName
|
carbolic acid
|
|
gptkbp:productionMethod
|
gptkb:cumene_process
from coal tar
|
|
gptkbp:PubChem_CID
|
996
15882
|
|
gptkbp:relatedTo
|
gptkb:bisphenol_A
gptkb:catechol
gptkb:cresol
gptkb:hydroquinone
aniline
|
|
gptkbp:riskFactor
|
Toxic, Corrosive
|
|
gptkbp:solubility
|
8.3 g/100 mL (20 °C)
|
|
gptkbp:structure
|
benzene ring with a hydroxyl group
|
|
gptkbp:toxicity
|
toxic to humans
|
|
gptkbp:UNNumber
|
1671
|
|
gptkbp:uses
|
herbicides
pharmaceuticals
disinfectant
dyes
resins
precursor to plastics
|
|
gptkbp:bfsParent
|
gptkb:Salen
gptkb:Benzene
gptkb:Cresole
|
|
gptkbp:bfsLayer
|
6
|