methyl eugenol

GPTKB entity

Statements (43)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
phenol
gptkbp:appearance colorless to pale yellow liquid
gptkbp:aroma clove-like
gptkbp:bannedIn EU for use as food additive
gptkbp:boilingPoint 254 °C
gptkbp:carcinogenicity possible human carcinogen
gptkbp:CASNumber 93-15-2
gptkbp:chemicalFormula C11H14O2
gptkbp:density 1.034 g/cm³
gptkbp:firstIsolatedFrom 1896
Aschan and Herzig
gptkbp:foundIn bay
cloves
essential oils
lettuce
basil
nutmeg
allspice
gptkbp:hasInChIKey ISWSIDIOOBJBQZ-UHFFFAOYSA-N
gptkbp:hasLogP 3.1
gptkbp:hasSMILES COc1cc(C=CC)ccc1OC
https://www.w3.org/2000/01/rdf-schema#label methyl eugenol
gptkbp:IUPACName 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
gptkbp:meltingPoint -4 °C
gptkbp:metabolism liver
gptkbp:molecularWeight 178.23 g/mol
gptkbp:naturalOccurrence present in over 450 plant species
gptkbp:PubChem_CID 7125
CHEBI:6823
gptkbp:regulates gptkb:FDA
gptkbp:riskFactor H315 (causes skin irritation)
H317 (may cause allergic skin reaction)
H302 (harmful if swallowed)
H351 (suspected of causing cancer)
H341 (suspected of causing genetic defects)
gptkbp:solubility insoluble
gptkbp:toxicity toxic to aquatic life
gptkbp:uses gptkb:perfume
flavoring agent
insect attractant
gptkbp:bfsParent gptkb:Eugenol
gptkbp:bfsLayer 5