Grundinformationen
- Standard-SMILES
CC=Cc1ccc(OC)c(OC)c1- InChIKey
NNWHUJCUHAELCL-UHFFFAOYSA-N- Summenformel
- C11H14O2
- Durchschnittliche Molmasse
- 178,23 g/mol
- Monoisotopische Masse
- 178,09937969
Überblick
isomethyleugenol has been reported in Nicotiana bonariensis, Solidago odora, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Methyl isoeugenol
- IUPAC
- 1,2-dimethoxy-4-prop-1-enylbenzene
Namen und Synonyme
Methyl isoeugenol4-Prop-1-enylveratrole1,2-dimethoxy-4-prop-1-enylbenzeneDTXSID00526211,2-DIMETHOXY-4-(1-PROPENYL)BENZENE46RN7Q97DEDTXCID4031194NSC-46111RefChem:1089583202-224-693-16-31,2-Dimethoxy-4-propenylbenzene
Weitere Namen anzeigen
MFCD000092821,2-dimethoxy-4-(prop-1-en-1-yl)benzenecis-O-Methylisoeugenol1,2-Dimethoxy-4-(1-propen-1-yl)benzeneBenzene, 1,2-dimethoxy-4-(1Z)-1-propenyl-1,2-Dimethoxy-4-(1-propenyl)-benzene1,2-dimethoxy-4-prop-1-enyl-benzeneTrans -Methyl isoeugenol
Datenbank-Bezeichner
- CAS
93-16-3- PubChem CID
- 7128
- DTXSID
DTXSID0052621- EC Number
- 202-224-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 165
Experimentelle und physikochemische Eigenschaften
Density1.047-1.053
Solubility
Insoluble in glycerine and propylene glycol; soluble in most fixed oils
soluble (in ethanol)
Boiling Point262-264 °C
Refractive Index1.566-1.569
Physical Descriptioncolourless to pale yellow liquid; delicate, clove-carnation aroma
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 95.5% (1634 of 1711) of all reports.
Not Classified
Aggregated GHS information provided per 1711 reports by companies from 6 notifications to the ECHA C&L Inventory.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1,2-dimethoxy-4-(1-propenyl)-
Regulation (EC) No 1831/2003 (amended)
Benzene, 1,2-dimethoxy-4-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Isoeugenol ethers: Human health tier II assessment
Hazard Classes and Categories
Not Classified
Carcinogenicity - category 2
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 7 consumer products that contain Methyl Isoeugenol in the following categories is provided:
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Zugehörige Reaktionen
6
Verknüpfte Notizen
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