2-methyl-5-hexen-1-yl 2-butenoate

2-methyl-5-hexen-1-yl 2-butenoate is a synthetic ester characterized by its fruity and chemical odor notes. This compound is known by several synonyms such as but-2-enoic acid 2-methyl-5-hexenyl ester and 2-methyl-5-hexenyl crotonate, reflecting its ester functional group derived from crotonic acid and a 2-methyl-5-hexen-1-yl alcohol moiety. The compound appears as a clear liquid soluble in alcohol but insoluble in water. Its sensory properties include a mix of fruity, metallic, and somewhat dirty odors when prepared at 10% concentration in dipropylene glycol. For controlled vocabulary, see PubChem. It is industrially obtained through esterification processes involving crotonic acid derivatives, although it has no established commercial use in fragrances or flavorings.

2-methyl-5-hexen-1-yl 2-butenoate does not have a documented natural biological occurrence and is primarily of synthetic origin. Its application is informational, as it is not employed commercially in fragrance or flavor formulations. Regulatory classification under relevant standards such as FEMA (US) indicates no current approval for use in these domains. Its organoleptic properties—fruity with chemical and metallic facets—may provide insight during research or compound identification but do not translate into practical usage in sensory products.

The compound is an ester exhibiting solubility in alcohols and insolubility in water, which influences its handling and formulation. Its molecular structure contains unsaturation and branching that contribute to its odor profile and chemical reactivity. The lack of aqueous solubility suggests preference for nonpolar or moderately polar solvents in experimental or synthetic settings. The sensory description includes a mix of fruity and metallic notes, with a somewhat unclean character at higher concentrations. Physicochemical stability or toxicological data remain limited, reflecting its restricted use status.

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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:
information only not used for fragrances or flavors
Recommendation for 2-methyl-5-hexen-1-yl 2-butenoate usage levels up to:
	not for fragrance use.
Recommendation for 2-methyl-5-hexen-1-yl 2-butenoate flavor usage levels up to:
	not for flavor use.

Safety references

None found