1-hexen-3-yl acetate

1-Hexen-3-yl acetate is an organic compound classified as an acetate ester with the molecular formula C₈H₁₄O₂. It appears as a volatile liquid exhibiting a distinctive green and fruity aroma, often accompanied by subtle earthy notes reminiscent of mushrooms. Known also by synonyms such as hex-1-en-3-yl acetate and 1-propylallyl acetate, it is notable in flavor chemistry for its applications in natural and synthetic flavorings. This compound is linked to controlled chemical vocabularies, for example, PubChem (CID 118262), which provides authoritative structural and chemical data. It is typically sourced or synthesized for use in flavor applications related to rum and various fruit notes.

1-Hexen-3-yl acetate occurs naturally as a volatile organic compound in certain plant-derived materials where it contributes to characteristic green, balsam, and woody aromas. Its primary application is as a flavoring agent, particularly in rum and fruit flavor profiles, imparting fresh, green, and slightly woody notes. The compound adds complexity through its earthy nuances and is valued in the formulation of flavor ingredients. Regulatory frameworks such as FEMA (US) govern its use in flavoring formulations, ensuring consistency and safety in food and beverage applications.

The physicochemical properties of 1-hexen-3-yl acetate influence its behavior in formulation and application. It has a molecular weight of approximately 142 g/mol and exhibits moderate volatility with a vapor pressure near 1.95 mmHg at 25°C. Its estimated logP of 2.46 indicates balanced lipophilicity, facilitating solubility in alcohols but limited aqueous solubility. The flash point at 49°C (120°F) reflects moderate flammability, which informs handling and storage precautions. These properties contribute to its effective use as a flavoring agent, influencing volatility, stability, and sensory impact within diverse matrices.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
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(IUPAC):	Periodic Table of the Elements
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Export Tariff Code:	2915.39.9500
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Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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:
flavoring agents
Recommendation for 1-hexen-3-yl acetate usage levels up to:
	not for fragrance use.

Safety references

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):35926-04-6

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :118262

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 1993

WGK Germany:2

hex-1-en-3-yl acetate

Chemidplus:0035926046