5-mercapto-6-undecanol

5-mercapto-6-undecanol is an organic sulfur alcohol characterized by the molecular formula C11H24OS. This oily liquid features a distinct herbal odor with nuances reminiscent of grapefruit and buchu leaf, making it of interest in aroma chemistry research. Commonly known also as 5-sulfanylundecan-6-ol, it is structurally defined by a long hydrocarbon chain with both a mercapto (–SH) group and a hydroxyl (–OH) group. Available data sources like PubChem provide comprehensive molecular information. It is typically synthesized in a laboratory setting rather than derived from natural sources, due to its specialized application profile. The compound is primarily studied as an odorant in scientific contexts and is not employed in consumer fragrances or flavors.

5-mercapto-6-undecanol does not have a significant natural occurrence documented but structurally relates to sulfur-containing fatty alcohols found in certain biological systems. Its usage is limited to research and informational purposes concerning odor character—the herbal, grapefruit, and buchu leaf scent profiles it imparts make it relevant for aroma structure-function studies. Regulatory frameworks such as REACH (EU) provide database registration for chemical substances like this without approval for commercial fragrance or flavor applications. Because it is not used in formulations, there are no recommended usage concentrations for consumer products. Its primary role remains confined to laboratory and technical development environments.

Physically, 5-mercapto-6-undecanol is a hydrophobic liquid with an estimated molecular weight of approximately 204.4 g/mol. Its chemical structure comprises a mercapto group and a hydroxyl moiety, contributing to moderate polarity within a predominantly hydrocarbyl skeleton. It exhibits limited solubility in water, about 13.75 mg per liter at 25 °C, which influences its behavior in formulations. The estimated log P (partition coefficient) value of 4.10 suggests lipophilicity, affecting volatility and interaction with lipid membranes or solvent systems. Such attributes inform its suitability in odor modeling but also limit practical applications where aqueous solubility is required. Its chemical stability and reactivity have neither been extensively documented nor presented safety concerns under the studied conditions.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

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 5-mercapto-6-undecanol usage levels up to:
	not for fragrance use.
Recommendation for 5-mercapto-6-undecanol flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :20372966

National Institute of Allergy and Infectious Diseases:Data

5-sulfanylundecan-6-ol