|
gptkbp:instanceOf
|
gptkb:chemical_compound
phenol
|
|
gptkbp:appearance
|
colorless to yellowish liquid
|
|
gptkbp:aroma
|
phenolic
|
|
gptkbp:boilingPoint
|
202 °C
|
|
gptkbp:CASNumber
|
108-39-4
|
|
gptkbp:chemicalFormula
|
C7H8O
|
|
gptkbp:countryOfOrigin
|
gptkb:European_Union
gptkb:United_States
|
|
gptkbp:density
|
1.034 g/cm³
|
|
gptkbp:EC_number
|
203-582-1
|
|
gptkbp:flammability
|
combustible
|
|
gptkbp:foundIn
|
gptkb:coal_tar
wood tar
|
|
gptkbp:GmelinNumber
|
828
|
|
gptkbp:hasInChIKey
|
IWDCLRJOBJJRNH-UHFFFAOYSA-N
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
|
|
gptkbp:hasLogP
|
2.06
|
|
gptkbp:hasSMILES
|
CC1=CC(=CC=C1)O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
m-Cresol
|
|
gptkbp:isomerOf
|
gptkb:o-Cresol
gptkb:p-Cresol
|
|
gptkbp:IUPACName
|
3-methylphenol
|
|
gptkbp:KEGGID
|
C06510
|
|
gptkbp:meltingPoint
|
11-12 °C
|
|
gptkbp:molecularWeight
|
108.14 g/mol
|
|
gptkbp:NFPA704
|
Health: 3, Flammability: 2, Instability: 0
|
|
gptkbp:pKa
|
10.09
|
|
gptkbp:precautionaryStatements
|
P280
P301+P310
P303+P361+P353
|
|
gptkbp:productionMethod
|
alkylation of phenol with methanol
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL14237
342
CHEBI:17250
|
|
gptkbp:refractiveIndex
|
1.539
|
|
gptkbp:riskFactor
|
H301
H314
H331
H311
|
|
gptkbp:solubility
|
slightly soluble
|
|
gptkbp:storage
|
store in cool, dry, well-ventilated area
|
|
gptkbp:toxicity
|
toxic by ingestion, inhalation, and skin absorption
|
|
gptkbp:UNNumber
|
2076
|
|
gptkbp:usedIn
|
pharmaceuticals
dyes
resins
disinfectants
|
|
gptkbp:vaporPressure
|
0.11 mmHg (25 °C)
|
|
gptkbp:bfsParent
|
gptkb:Cresole
|
|
gptkbp:bfsLayer
|
6
|