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buchu mercaptan
Buchu mercaptan is a sulfur-containing flavor and fragrance compound known for its strong fruity, berry, and minty notes with blackcurrant nuances.
General Material Description
Buchu mercaptan, also known as p-mentha-8-thiol-3-one, is an organosulfur compound with molecular formula C10H18OS. It appears as a liquid with a strong sulfurous odor characterized by fruity, minty, and berry-like notes reminiscent of blackcurrant and tropical fruits. This compound is referenced in public chemical databases such as PubChem and is commonly sourced as a flavor and fragrance ingredient. It serves as an important synthetic replacement for buchu leaf oil and is used to impart distinct sulfurous and fruity aromas in various applications.
Occurrence, Applicability & Potential Uses
Buchu mercaptan occurs naturally in buchu leaf oil and is valued for its intense sulfurous and fruity aroma profile. The compound is used primarily as a flavoring agent in products such as beverages, bakery items, confectionery, and desserts, often to enhance blackcurrant, berry, and tropical fruit notes. It also finds applications as a perfuming agent in fragrances. Usage guidelines are regulated under standards such as FEMA (US), with a FEMA number of 3177. Its distinctive organosulfur character offers formulators a potent tool for replicating complex fruity and herbal notes found in nature.
Physico-Chemical Properties Summary
Buchu mercaptan has a molecular weight of approximately 186 g/mol and shows moderate lipophilicity with an estimated logP of 2.624. It is a liquid with specific gravity close to water, ranging between 0.995 and 1.01 at 25°C. The refractive index varies between 1.492 and 1.509 at 20°C. It has a low vapor pressure of 0.006 mmHg at 25°C and boils between 56 to 62°C at reduced pressure (0.1 mmHg). The compound is soluble in alcohol and slightly soluble in water. It has a flash point of 108°C (227°F), indicating moderate flammability risk. Proper storage in cool, dry, well-sealed containers protected from heat and light extends its shelf life beyond 12 months. These properties influence its handling and formulation in flavors and fragrances.
FAQ
What is buchu mercaptan and what are its characteristic sensory properties?
Buchu mercaptan, known chemically as p-mentha-8-thiol-3-one, is a sulfur-containing organic compound widely used for its distinctive aroma. It exhibits a high-intensity sulfurous odor combined with fruity, minty, berry, and tropical notes. The scent profile includes blackcurrant nuances and a cooling green character. This combination makes it valuable in flavor and fragrance formulations where a potent, complex sulfurous-fruity aroma is desired.
How and where is buchu mercaptan used, and from what is it derived?
Buchu mercaptan is used mainly as a flavoring and fragrance ingredient to add or replicate sulfurous, berry, and tropical fruit aromas. It naturally occurs in buchu leaf oil, derived from the leaves of the buchu plant. Its applications include beverages, bakery products, confectionery, desserts, and perfuming agents. Usage levels are carefully controlled to balance potency and safety according to established standards, ensuring its effective incorporation into complex aromatic blends.
What regulatory considerations and safety guidelines apply to buchu mercaptan?
Buchu mercaptan is regulated under FEMA (US) standards where it holds FEMA number 3177 and is categorized for usage in flavor formulations with specific maximum concentration limits. Safety assessments, including those by the International Fragrance Association (IFRA Global) and other regulatory bodies, outline recommended use levels, typically not exceeding 0.5% in fragrance concentrates. It is classified as harmful if swallowed and irritant to skin and eyes, requiring appropriate handling precautions such as storage in sealed containers away from heat and light. Comprehensive safety reviews are available from authoritative sources including EFSA (EU) and JECFA.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Other Information
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB37385 |
| FooDB: | FDB016426 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | p-Mentha-8-thiol-3-one |
General Material Information
| Preferred name | buchu mercaptan |
| Trivial Name | p-Mentha-8-thiol-3-one |
| Short Description | p-mentha-8-thiol-3-one |
| Formula | C10 H18 O S |
| CAS Number | 38462-22-5 |
| FEMA Number | 3177 |
| Flavis Number | 12.038 |
| ECHA Number | 253-953-1 |
| FDA UNII | 9BM9FFW27E |
| Nikkaji Number | J294.669F |
| MDL | MFCD00012393 |
| COE Number | 11789 |
| xLogP3-AA | 2.30 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 561 p-mentha-8-thiol-3-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 38462-22-5 ; P-MENTHA-8-THIOL-3-ONE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 186.3176574707 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.279 to 8.404 |
| Refractive Index | 1.492 to 1.509 @ 20 °C |
| Boiling Point | 56 to 62°C @ 0.1 mm Hg |
| Vapor Pressure | 0.006 mmHg @ 25 °C |
| Flash Point TCC Value | 108.33 °C TCC |
| logP (o/w) | 2.624 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 218.4 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, minty, green, fruity, berry, buchu, tropical, peach, raspberry | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 120 hour(s) at 100.00 % |
| Luebke, William tgsc, (2002) | At 1.00 % in dipropylene glycol. sulfury minty green fruity berry buchu fruity tropical peach |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | Fruity, berry and tropical with a raspberry, minty nuance |
| Flavor Type: Sulfurous | |
| sulfurous, alliaceous, green, tropical, currant bud black currant bud | |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | At 50.00 ppm. Sulfurous, alliaceous, green and tropical with rich body, blackcurrant nuances |
| Used in blackcurrant, grape, and berry flavours; in desserts at up to 6ppm, bakery and soft confections at 1-2ppm, and in beverages at 0.2ppm to 0.4ppm. | Minty |
| General comment | , fruity, buchu-like, with a cooling green tropical nuance; characteristic cassis |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Apricot , Berry , Blueberry , Chypre , Currant black currant , Fruit , Gooseberry , Grape concord grape , Grapefruit , Guava , Herbal , Mango , Mint , Peach , Peppermint , Pineapple , Raspberry , Spearmint , Strawberry , Woody |
| Flavoring purposes | Buchu leaf , Tropical |
| Other purposes | Clean |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
| R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing 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: | |||
| flavor and fragrance 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 usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 31.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 270 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.90000 | 1.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | - | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.62000 | 1.41000 | |
| Chewing gum (05.3): | 1.00000 | 5.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.62000 | 6.21000 | |
| Bakery wares (07.0): | 0.62000 | 1.41000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | - | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.40000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.10000 | 0.20000 | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012) View page or View pdf |
| Safety and efficacy of 8-mercapto-p-menthan-3-one and p-menth-1-ene-8-thiol belonging to chemical group 20 when used as flavourings for all animal species View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 View page or View pdf |
| Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):38462-22-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61982 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2810 |
| WGK Germany:2 |
| 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one |
| Chemidplus:0038462225 |