buchu mercaptan acetate

Buchu mercaptan acetate, also known as menthone thioacetate and scientifically as S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate, is a sulfur-containing organic compound with the molecular formula C₁₂H₂₀O₂S. This compound appears as a clear to pale liquid and exhibits a distinctive fruity and herbal aroma characteristic of menthone derivatives. It is found naturally in buchu leaf oil, a source that contributes to its popularity in flavor applications. Its sensory profile includes notes described as black currant, catty, fruity, and tropical herbal nuances. The substance has several synonyms related to its chemical structure reflecting its classification as a thioester of menthone. Detailed chemical information is indexed in public databases such as PubChem, facilitating scientific referencing and industry use.

Buchu mercaptan acetate occurs naturally in buchu leaf oil, an essential oil well known for its aromatic properties. This compound functions predominantly as a flavoring agent in food and beverage products. It contributes fruity and herbal notes to flavor formulations, especially in bakery goods, soft confections, beverages, and desserts. The compound is recognized under FEMA (US) standards with the FEMA number 3809, and it is assessed by JECFA for flavor use. Typical applications include enhancing black currant, grape, and tropical fruit flavors along with berry-type aroma profiles. Its use levels are regulated according to the International Fragrance Association (IFRA) Code of Practice, the 49th amendment (Global), limiting its concentration in fragrance and flavor formulations to ensure optimal sensory performance and consumer safety.

Buchu mercaptan acetate exhibits a molecular weight of approximately 228.35 g/mol and demonstrates physical properties suitable for flavor formulation. It has a boiling point range between 305 to 306°C at standard atmospheric pressure (760 mmHg), indicating moderate volatility. The compound's specific gravity is measured around 1.043 to 1.053 at 20°C, consistent with many essential oil components. Its refractive index ranges from 1.497 to 1.506 at 20°C, which assists in quality control and identification. The vapor pressure is very low (0.001 mmHg at 25°C), implying limited evaporation under room temperature. Solubility assessments show it is miscible with alcohol and has moderate solubility in water estimated at about 392 mg/L at 25°C, but considered practically insoluble in water otherwise, impacting formulation choices. The estimated partition coefficient (log P) of 2.46 reflects good lipophilicity, facilitating integration into oil-based flavor carriers. Its flash point is approximately 281°F (138°C), suggesting moderate thermal stability during processing.

(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
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	Menthone-8-thioacetate

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable gloves and eye/face protection.
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for buchu mercaptan acetate usage levels up to:
	0.5000 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 17
Click here to view publication 17
		average usual ppm	average maximum ppm
baked goods:		1.00000	10.00000
beverages(nonalcoholic):		0.10000	0.30000
beverages(alcoholic):		0.20000	5.00000
breakfast cereal:		0.50000	5.00000
cheese:		0.50000	5.00000
chewing gum:		5.00000	20.00000
condiments / relishes:		-	-
confectionery froastings:		1.00000	10.00000
egg products:		-	-
fats / oils:		3.00000	40.00000
fish products:		-	-
frozen dairy:		0.20000	10.00000
fruit ices:		0.20000	10.00000
gelatins / puddings:		0.50000	5.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		1.00000	10.00000
imitation dairy:		0.20000	10.00000
instant coffee / tea:		-	-
jams / jellies:		0.50000	10.00000
meat products:		-	-
milk products:		0.20000	10.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		0.10000	2.00000
reconstituted vegetables:		0.10000	2.00000
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		1.00000	10.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		0.20000	5.00000

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 :175606

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate

Chemidplus:0094293579