4-ethyl 1-(3-methoxy-2-propen-1-yl) benzene

4-ethyl 1-(3-methoxy-2-propen-1-yl) benzene, also known by synonyms such as 1-ethyl-4-[(E)-3-methoxyprop-2-enyl]benzene, is an aromatic ether compound characterized by the molecular formula C12H16O. This compound appears as a colorless to pale liquid exhibiting distinct sensory properties, notably muguet, green, and fatty odor notes, making it relevant in fragrance applications. It is chemically classified under aromatic hydrocarbons substituted with a methoxypropenyl side group. The substance’s controlled vocabulary identifier is available on PubChem, linking to detailed chemical and safety data. Originating from synthetic pathways involving methoxy derivatives of benzene, this compound is primarily utilized for its organoleptic qualities in perfumery. Its precise molecular weight is approximately 176.26 g/mol, contributing to specific volatility and solubility characteristics.

While not naturally abundant, 4-ethyl 1-(3-methoxy-2-propen-1-yl) benzene is synthetically produced for use as a fragrance agent. It is valued for imparting muguet and fresh green notes in perfume compositions. The compound’s application conforms with IFRA (International Fragrance Association) standards, which govern safe usage levels globally in fragrance materials. It is not recommended for use as a flavor additive. Its moderate water solubility and molecular properties allow integration in various topical and ambient fragrance formats, enabling broad applicability in cosmetic and household product formulations.

This compound possesses a molecular weight of 176.26 g/mol with a chemical formula C₁₂H₁₆O. Its estimated water solubility is moderate, approximately 50.27 mg/L at 25 °C, indicating limited but sufficient miscibility for many formulation types. The estimated partition coefficient (XLogP3) of 3.40 suggests moderate lipophilicity, favoring distribution in organic solvents and fragrance bases. These properties influence its volatility, diffusion, and persistence in finished products. The compound’s chemical structure includes an aromatic ring substituted with an ethyl group and a methoxy propenyl side chain, impacting odor character and stability under normal usage conditions.

	1-ethyl-4-[(E)-3-methoxyprop-2-enyl]benzene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	58265243
Pubchem (cas):	1304037-63-5

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4-ethyl 1-(3-methoxy-2-propen-1-yl) benzene flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

AIDS Citations:Search

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Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :58265243

National Institute of Allergy and Infectious Diseases:Data

1-ethyl-4-[(E)-3-methoxyprop-2-enyl]benzene