1-isopropyl-2-methyl butyl 2-butenoate

1-isopropyl-2-methyl butyl 2-butenoate, also known by synonyms such as but-2-enoic acid 1-isopropyl-2-methylbutyl ester, is an ester compound characterized by a fruity and slightly chemical odor. This compound belongs to the ester chemical family, which often features pleasant aromatic qualities derived from organic acid and alcohol precursors. The molecular structure comprises a butenoate residue esterified with a branched isopropyl-methyl butyl alcohol moiety. Its sensory profile has been described as fruity with thin and faintly metallic nuances at a 10% concentration in dipropylene glycol. Despite its odor properties, this ester is primarily intended for information purposes rather than commercial fragrance or flavor applications. Full molecular and chemical data can be found through resources like PubChem. The compound is typically synthesized through esterification reactions involving crotonic acid derivatives and branched alcohols.

1-isopropyl-2-methyl butyl 2-butenoate does not naturally occur in biological systems and is considered a synthetic ester. It has no significant commercial use in fragrance or flavor compositions as noted in safety and usage data. While esters of crotonic acid can sometimes function as aroma components, this particular compound is restricted to informational applications. Chemical and cosmetic standards such as REACH (European Union) provide frameworks regarding its registration but do not list this compound as authorized for flavor or fragrance usage. Its limited utility may be due to its physico-chemical properties, sensory profile, or lack of toxicological data that impedes regulatory approval for broader applications.

1-isopropyl-2-methyl butyl 2-butenoate exhibits solubility characteristics typical of many esters, being soluble in alcohol solvents but insoluble in water. Its molecular structure suggests moderate polarity influenced by the ester functional group combined with a hydrophobic branched alkyl chain. This solubility profile affects its potential formulation uses, restricting its incorporation into aqueous systems without co-solvents. The compound’s odor attributes at typical testing concentrations include a light fruity character accompanied by a thin, slightly metallic and chemical nuance, which may limit its sensory appeal. Its volatility and stability under standard ambient conditions are consistent with small molecular esters but specific data are not documented. No hazardous classifications or hazard statements have been identified, indicating a relatively low acute hazard under typical handling conditions.

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-isopropyl-2-methyl butyl 2-butenoate usage levels up to:
	not for fragrance use.
Recommendation for 1-isopropyl-2-methyl butyl 2-butenoate flavor usage levels up to:
	not for flavor use.

Safety references

None found