(E)-tiglyl 2-methyl butyrate

(E)-tiglyl 2-methyl butyrate is an ester compound with the molecular formula C₁₀H₁₈O₂ and a molecular weight of approximately 170.25 g/mol. This chemical presents as a colorless liquid characterized by an estery, fruity berry-like odor reminiscent of elderberry when diluted in dipropylene glycol at 10%. Its structure comprises a tiglyl moiety linked to a 2-methylbutanoate group, giving it its distinct sensory profile. Known synonyms include (E)-2-methyl-2-butenyl 2-methylbutanoate and [(E)-2-methylbut-2-enyl] 2-methylbutanoate. The compound is referenced and indexed within chemical databases such as PubChem, aiding in standardized nomenclature and structural identification. It is primarily studied for informational and reference use and is not commercially employed in the formulation of flavors or fragrances, reflecting its specialized role within chemical research contexts.

(E)-tiglyl 2-methyl butyrate does not naturally occur widely in biological systems and is currently considered mainly for informational use. It has not been employed in commercial fragrance or flavor formulations. Its chemical class, ester, typically contributes fruity and sweet notes in aroma chemistry; however, this compound’s applications remain limited to research and chemical reference. Regulatory frameworks such as FEMA (US) list no authorized usage levels for this substance in flavors or fragrances. Its vapor pressure, boiling point, and logP values contribute to understanding its environmental behavior and formulation potential, suggesting it could theoretically function as a fragrance ingredient if safety and efficacy profiles were established.

(E)-tiglyl 2-methyl butyrate exhibits a boiling point range between 210 and 211°C at atmospheric pressure (760 mm Hg), indicative of moderate volatility relevant to its handling and potential dispersion. Its vapor pressure at 25°C is low (approximately 0.193 mmHg), correlating with reduced evaporation rate under ambient conditions. The compound's estimated logP value of 3.479 reflects moderate lipophilicity, influencing its solubility and interaction characteristics; it is soluble in alcohols and has limited aqueous solubility estimated at 53.9 mg/L at 25°C. The flash point is approximately 74°C (166°F), providing data essential for safe transport and storage considerations. These physicochemical properties shape its stability, formulation possibilities, and environmental fate.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
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(IUPAC):	Periodic Table of the Elements
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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 (E)-tiglyl 2-methyl butyrate usage levels up to:
	not for fragrance use.
Recommendation for (E)-tiglyl 2-methyl butyrate 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 :6365994

National Institute of Allergy and Infectious Diseases:Data

[(E)-2-methylbut-2-enyl] 2-methylbutanoate