|
gptkbp:instanceOf
|
gptkb:chemical_compound
phenol
|
|
gptkbp:appearance
|
colorless to pale yellow oily liquid
|
|
gptkbp:aroma
|
characteristic, similar to sassafras
|
|
gptkbp:bannedIn
|
gptkb:US_FDA
food in the United States
|
|
gptkbp:boilingPoint
|
232 °C
|
|
gptkbp:carcinogenicity
|
possible human carcinogen (IARC Group 2B)
|
|
gptkbp:CASNumber
|
94-59-7
|
|
gptkbp:chemicalFormula
|
C10H10O2
|
|
gptkbp:density
|
1.096 g/cm³
|
|
gptkbp:foundIn
|
gptkb:camphor_oil
gptkb:sassafras_oil
gptkb:star_anise
basil
nutmeg
|
|
gptkbp:hasInChIKey
|
gptkb:YUZRIZXKGLAOFD-UHFFFAOYSA-N
|
|
gptkbp:hasSMILES
|
C=CCc1ccc2OCOc2c1
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Safrole
|
|
gptkbp:IUPACName
|
5-(prop-2-en-1-yl)-1,3-benzodioxole
|
|
gptkbp:KEGGID
|
gptkb:C10483
|
|
gptkbp:meltingPoint
|
-11 °C
|
|
gptkbp:molecularWeight
|
162.19 g/mol
|
|
gptkbp:PubChem_CID
|
gptkb:CHEBI:28013
gptkb:CHEMBL14237
5144
|
|
gptkbp:regulates
|
controlled substance precursor in many countries
|
|
gptkbp:relatedTo
|
isomer of isosafrole
related to eugenol
related to myristicin
|
|
gptkbp:riskFactor
|
H302, H351, H411
|
|
gptkbp:solubility
|
insoluble
soluble in ethanol, ether, chloroform
|
|
gptkbp:structure
|
contains a methylenedioxy group attached to a benzene ring
|
|
gptkbp:toxicity
|
hepatotoxic
|
|
gptkbp:UNNumber
|
gptkb:UN_2810
|
|
gptkbp:uses
|
flavoring agent (historically)
precursor in the synthesis of MDMA
|
|
gptkbp:bfsParent
|
gptkb:Mace
gptkb:Nutmeg
|
|
gptkbp:bfsLayer
|
5
|