(Z)-Methyl isoeugenol

(Z)-Methyl isoeugenol
Compound Structure:
Synonyms: cis-Methylisoeugenol;cis-Methyl isoeugenol;Isoeugenyl methyl ether;Methylisoeugenol, (Z)-;cis-4-Propenyl veratrole;Methyl isoeugenol;(Z)-Methylisoeugenol; O-Methylisoeugenol; Isoeugenol methyl ether
Compound ID: NMPC-073
PubChem ID:

1549045
Molecular Formula: C11H14O2
Canonical SMILES: CC=CC1=CC(=C(C=C1)OC)OC
InChIKey: NNWHUJCUHAELCL-PLNGDYQASA-N
About the compound:

Isoeugenyl methyl ether is a naturally occurring compound that can be found in various organisms, including Platostomaafricanum and Asarumrigescens, among others for which data is available. Methyl isoeugenol, also known as isomethyleugenol, belongs to the phenylpropanoid class of compounds and represents the methyl ether of isoeugenol. It is commonly present in specific essential oils. Notably, it can exist in two different geometric isomers, denoted as the (E)- and (Z)-isomers.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1634 of 1711 companies (only ~ 4.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

178.23 g/mol

XLogP3

2.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

178.099379685 g/mol

Monoisotopic Mass

178.099379685 g/mol

Topological Polar Surface Area

18.5Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

166

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

colourless to pale yellow liquid; delicate, clove-carnation aroma

Boiling Point

270.50 °C. @ 760.00 mm Hg

Melting Point

16 - 17 °C

Density

1.047-1.053

Source: PubChem
Source Species: Ficus asperifolia
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