Safrole

URI: https://gptkb.org/entity/Safrole
GPTKB entity
AI-created image of Safrole
AI-created image
Statements (41)
Predicate Object
gptkbp:instanceOf gptkb:phenol
gptkb:chemical_compound
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
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
https://www.w3.org/2000/01/rdf-schema#label Safrole