Methyl eugenol

Compound Structure:

Synonyms:

1,2-dimethoxy-4-prop-2-enylbenzene; METHYLEUGENOL; Methyl eugenol; 4-Allyl-1,2-dimethoxybenzene; Eugenol methyl ether; 4-Allylveratrole; O-Methyleugenol; Eugenyl methyl ether; Methyl eugenol ether; Veratrole methyl ether; Methyl eugenyl ether

Compound ID:

NMPC-1250

PubChem ID:

7127

Molecular Formula:

C11H14O2

Canonical SMILES:

COC1=C(C=C(C=C1)CC=C)OC

InChIKey:

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H302 (99.94%): Harmful if swallowed [Warning Acute toxicity, oral]

• H317 (75.57%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H341 (97.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

• H351 (99.65%): Suspected of causing cancer [Warning Carcinogenicity]

First Aid

• If chemical contacts the eyes, remove contact lenses, flush with water or saline for 20-30 minutes, and transport to a hospital immediately, regardless of symptoms.

• For skin exposure, flood with water, wash with soap, and seek medical help if redness or irritation occurs.

• If inhaled, move to fresh air, use respiratory protection, and seek medical assistance for symptoms.

• If swallowed, do not induce vomiting. Give water if conscious, and transport to a hospital, avoiding oral intake if convulsing or unconscious due to the risk of aspiration (NTP, 1992).

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

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	4
Exact Mass	178.099379685 g/mol
Monoisotopic Mass	178.099379685 g/mol
Topological Polar Surface Area	18.5Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992)
Boiling Point	254.7 °C
Melting Point	-4 °C
Density	1.032-1.036
Solubility	Soluble in fixed oils; insoluble in glycerin and propylene glycol
Vapor Pressure	0.01 [mmHg]

Source: PubChem

Source Species:

Ficus asperifolia
Solanum nigrum
Eucalyptus cloeziana
Eucalyptus torelliana
Plumeria alba

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