1,2,2-trimethyl propyl 2-butenoate

1,2,2-Trimethyl propyl 2-butenoate is an ester compound known for its distinctive fruity aroma characterized by sweet nuances along with faint hay-like and metallic facets. Its molecular structure classifies it among the crotonate esters, featuring a but-2-enoic acid moiety esterified with a 1,2,2-trimethylpropyl group. This chemical entity appears as a colorless liquid showing solubility in alcohol solvents while remaining insoluble in water. Synonyms for this ester include but-2-enoic acid 1,2,2-trimethylpropyl ester and 1,2,2-trimethylpropyl crotonate. It is documented in chemical databases such as PubChem. Industrially, it is sourced via esterification processes involving crotonic acid and the corresponding alcohol, though it sees limited to no use in fragrances or flavorings due to its specific application profile.

Although 1,2,2-trimethyl propyl 2-butenoate does not occur naturally in significant quantities, it is synthesized through chemical esterification of crotonic acid with 1,2,2-trimethylpropanol. Its notably fruity scent suggests theoretical use as an odorant or chemical intermediate. However, regulatory guidance, including safety assessments under frameworks such as REACH (European Union), indicates the compound is provided for information only and is not deployed in fragrance or flavor formulations. Its physical solubility properties in alcohol but not water can influence potential utility in solvent-based applications rather than aqueous systems. As such, it remains primarily a specialty chemical of informational interest rather than a commercial flavor or perfume ingredient.

1,2,2-Trimethyl propyl 2-butenoate is distinguished by its preferential solubility in alcohols, contrasted with insolubility in water, indicating moderate polarity and affinity for organic solvents. This solubility profile aligns with its ester functional group and branched alkyl substituent. Its odor profile combines fruity and sweet notes with subtle hay-like and metallic undertones at high concentration (100%), characteristics relevant for sensory evaluation. The compound's physical state as a colorless liquid facilitates handling under standard laboratory or industrial temperature conditions. These physicochemical features denote suitability for formulation in non-aqueous matrices but limit direct use in aqueous-based products.

None found

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 1,2,2-trimethyl propyl 2-butenoate usage levels up to:
	not for fragrance use.
Recommendation for 1,2,2-trimethyl propyl 2-butenoate flavor usage levels up to:
	not for flavor use.

Safety references

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