|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:appearance
|
colorless to pale yellow oily liquid
|
|
gptkbp:aroma
|
bitter almond-like
|
|
gptkbp:boilingPoint
|
196 °C
|
|
gptkbp:CASNumber
|
90-02-8
|
|
gptkbp:category
|
phenols
flavoring agents
aromatic aldehydes
|
|
gptkbp:chemicalFormula
|
C7H6O2
|
|
gptkbp:contains_functional_group
|
phenol
aldehyde
|
|
gptkbp:density
|
1.174 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Justus_von_Liebig
|
|
gptkbp:discoveredIn
|
1838
|
|
gptkbp:hasInChIKey
|
InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
LQNUZADURLCDLV-UHFFFAOYSA-N
|
|
gptkbp:hasSMILES
|
C1=CC=C(C(=C1)C=O)O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
salicylaldehyde
|
|
gptkbp:IUPACName
|
2-hydroxybenzaldehyde
|
|
gptkbp:KEGGID
|
C01780
|
|
gptkbp:meltingPoint
|
-8 °C
|
|
gptkbp:molecularWeight
|
122.12 g/mol
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL31808
7251
CHEBI:28235
|
|
gptkbp:relatedTo
|
gptkb:salicylic_acid
benzaldehyde
|
|
gptkbp:riskFactor
|
irritant
|
|
gptkbp:solubility
|
slightly soluble
soluble in ethanol
soluble in ether
|
|
gptkbp:UNII
|
1V8V5UO2IG
|
|
gptkbp:uses
|
used in perfumery
precursor to chelating agents
used in dye manufacture
used in organic synthesis
|
|
gptkbp:bfsParent
|
gptkb:Reimer–Tiemann_reaction
|
|
gptkbp:bfsLayer
|
7
|