Methyl isoeugenol

HCID 7128CAS 93-16-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC=Cc1ccc(OC)c(OC)c1
InChIKey
NNWHUJCUHAELCL-UHFFFAOYSA-N
Molecular formula
C11H14O2
Average molar mass
178.23 g/mol
Monoisotopic mass
178.09937969

Overview

isomethyleugenol has been reported in Nicotiana bonariensis, Solidago odora, and other organisms with data available.

Names & identifiers

Preferred name
Methyl isoeugenol
IUPAC
1,2-dimethoxy-4-prop-1-enylbenzene

Names & synonyms

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
Show more names
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

Database identifiers

CAS
93-16-3
PubChem CID
7128
DTXSID
DTXSID0052621
EC Number
202-224-6

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Density1.047-1.053
Solubility · 2 items

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 3 items

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 · 2 items

Not Classified

Carcinogenicity - category 2

Chemistry & industry

Uses & manufacturing

Household ProductsInformation on 7 consumer products that contain Methyl Isoeugenol in the following categories is provided:
Use Classification · 3 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Related reactions

6 records
New reaction record

Linked notes

Loading…