3-cyclohexyl propyl butyrate

3-cyclohexyl propyl butyrate is a synthetic organic ester with the molecular formula C13H24O2, presenting as a colorless liquid with a faint, cool green waxy odor. Also known as 3-cyclohexylpropyl butanoate or butanoic acid 3-cyclohexylpropyl ester, it belongs to the family of butanoate esters characterized by a cyclohexyl ring attached to the propyl side chain. This compound is cataloged in chemical databases such as PubChem under CID 3023951. Typically synthesized via esterification of butyric acid with 3-cyclohexylpropanol, it is not commonly derived from natural sources. Due to its specific organoleptic profile, it is primarily used in research contexts rather than as a commercial fragrance or flavor ingredient.

3-cyclohexyl propyl butyrate is not known to occur naturally in biological systems; it is a synthetic compound. Its primary use is for informational and research purposes rather than commercial applications in fragrances or flavors. The compound is not registered under usage standards for these applications according to the Federal Food, Drug, and Cosmetic Act (FDA, US) and has no established use levels in formulations. Regulatory frameworks such as REACH (EU) govern chemical safety but do not specify functional uses for this ester. Its distinct green and faint waxy odor characterizes it as a compound of interest mainly in chemical aroma studies rather than practical product development.

3-cyclohexyl propyl butyrate exhibits physicochemical properties characteristic of mid-weight organic esters. Its molecular weight is 212.33 g/mol, with a chemical formula C13H24O2 featuring a cyclohexyl ring and an ester functionality. The compound has a boiling point range from 265 to 266 °C at atmospheric pressure and a reduced boiling range of 135 to 136 °C at 1.87 mmHg, indicating moderate volatility. It shows a specific gravity of 0.9145 at 20 °C and a measured vapor pressure of 0.009 mmHg at 25 °C, classifying it as low volatility under ambient conditions. The octanol-water partition coefficient (logP) is estimated at approximately 4.8, reflecting a relatively lipophilic nature. Solubility tests indicate insolubility in water but good solubility in alcohol solvents. The flash point is reported at 232 °F (approximately 111 °C), suggesting moderate flammability precautions apply. These properties influence its handling, storage, and potential application in chemical formulations.

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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 3-cyclohexyl propyl butyrate usage levels up to:
	not for fragrance use.
Recommendation for 3-cyclohexyl propyl butyrate flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

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EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :3023951

National Institute of Allergy and Infectious Diseases:Data

3-cyclohexylpropyl butanoate

Chemidplus:0094200132