|
gptkbp:instanceOf
|
fat
|
|
gptkbp:appearance
|
white solid
|
|
gptkbp:boilingPoint
|
361 °C
|
|
gptkbp:CASNumber
|
57-11-4
|
|
gptkbp:category
|
food additives
lipids
carboxylic acids
|
|
gptkbp:chemicalFormula
|
C18H36O2
|
|
gptkbp:density
|
0.847 g/cm³
|
|
gptkbp:EC_number
|
E570
|
|
gptkbp:foundIn
|
gptkb:cocoa_butter
gptkb:vegetable_oils
fat
shea butter
|
|
gptkbp:Gmelin_number
|
402
|
|
gptkbp:hasInChIKey
|
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
|
|
gptkbp:hasSMILES
|
CCCCCCCCCCCCCCCCCC(=O)O
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
stearic acid
|
|
gptkbp:isConjugateBaseOf
|
stearate
|
|
gptkbp:IUPACName
|
octadecanoic acid
|
|
gptkbp:KEGGID
|
C01530
|
|
gptkbp:meltingPoint
|
69.3 °C
|
|
gptkbp:molecularWeight
|
284.48 g/mol
|
|
gptkbp:numberOfCarbonAtoms
|
18
|
|
gptkbp:productionMethod
|
hydrolysis of fats and oils
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL123
5281
CHEBI:28842
|
|
gptkbp:relatedTo
|
gptkb:linoleic_acid
gptkb:oleic_acid
gptkb:palmitic_acid
arachidic acid
|
|
gptkbp:riskFactor
|
may cause eye irritation
may cause skin irritation
|
|
gptkbp:solubility
|
insoluble
|
|
gptkbp:solubility_in_chloroform
|
soluble
|
|
gptkbp:solubility_in_ethanol
|
slightly soluble
|
|
gptkbp:structureType
|
saturated fatty acid
|
|
gptkbp:systematicName
|
octadecanoic acid
|
|
gptkbp:UNII
|
4ELV7Z65AP
|
|
gptkbp:uses
|
gptkb:food
candles
cosmetics
detergents
soaps
lubricants
|
|
gptkbp:bfsParent
|
gptkb:oleic_acid
|
|
gptkbp:bfsLayer
|
6
|