Articles:
| PubMed: | Odor similarity between stress-inducing odorants in wistar rats. |
cis- and trans-L-mercapto-p-menthan-3-one
Notes:
Used as a food additive [EAFUS]
-
Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
-
-
Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): TH0660 Mercapto-p-menthan-3-one
-
-
Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): TH0660 Mercapto-p-menthan-3-one
-
| CAS Number: | 29725-66-4 |  3D/inchi
|
| % from: | 89.00% to 91.00% | |
| FDA UNII: | A451PTS4VT | |
| XlogP: | 2.66 (est) | |
| Molecular Weight: | 186.31766000 | |
| Formula: | C10 H18 O S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| Also(can) Contains: | piperitone 8.00% to 9.00% | |
| alpha-terpineol 1.00% to 2.00% | ||
| EFSA/JECFA Comments: | Minimum assay (89%) (EFFA, 2006u). Secondary components are piperitone (8-9 %) and alpha-terpineol (1-2 %) (California Department of Pest. Regulation, 1987 ). | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1673 cis- and trans-mercapto-p-menthan-3-one |
| DG SANTE Food Flavourings: | 12.259 1-mercapto-p-menthane-3-one |
| FEMA Number: | 4300 cis- and trans-L-mercapto-p-menthan-3-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 29725-66-4 ; CIS- AND TRANS-L-MERCAPTO-P-MENTHAN-3-ONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 89.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98900 to 0.99900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.229 to 8.313 |
| Refractive Index: | 1.48700 to 1.49700 @ 20.00 °C. |
| Boiling Point: | 119.00 to 123.00 °C. @ 10.00 mm Hg |
| Boiling Point: | 261.00 to 262.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 233.00 °F. TCC ( 111.90 °C. ) (est) |
| logP (o/w): | 2.474 (est) |
| Soluble in: | |
| alcohol | |
| water, 218.4 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 0.10 % in propylene glycol. | citrus |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
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: | flavoring agents | ||
| Recommendation for (Z+E)-mercapto-para-menthan-3-one usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 7 (μg/person/day) | ||
| NOEL (No Observed Effect Level): | 0.7 (mg/kg bw per day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.10000 | 0.50000 | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 1.00000 | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | 0.01000 | 0.05000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.01000 | 0.05000 | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.01000 | 0.05000 | |
| fish products: | 0.01000 | 0.05000 | |
| frozen dairy: | 0.01000 | 0.05000 | |
| fruit ices: | 0.10000 | 0.50000 | |
| gelatins / puddings: | 0.01000 | 0.05000 | |
| granulated sugar: | - | - | |
| gravies: | 0.01000 | 0.05000 | |
| hard candy: | - | - | |
| imitation dairy: | 0.01000 | 0.05000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.01000 | 0.05000 | |
| milk products: | 0.01000 | 0.05000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 0.01000 | 0.05000 | |
| processed fruits: | 0.01000 | 0.05000 | |
| processed vegetables: | 0.01000 | 0.05000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.01000 | 0.05000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 0.01000 | 0.05000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.01000 | 0.05000 | |
| 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): | 0.00100 | 0.01000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 0.02000 | 0.05000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 0.01000 | 0.03000 | |
| Confectionery (05.0): | 0.02000 | 0.05000 | |
| Chewing gum (05.0): | 0.02000 | 0.10000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.00100 | 0.01000 | |
| Bakery wares (07.0): | 0.00100 | 0.01000 | |
| Meat and meat products, including poultry and game (08.0): | 0.02000 | 0.05000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.00100 | 0.01000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.02000 | 0.03000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.01000 | 0.02000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.01000 | 0.03000 | |
| 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 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 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 | |
| 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 | |
| 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| (Z+E)-laevo-mercapto-para-menthan-3-one | |
| Chemidplus: | 0029725664 |
References:
| (Z+E)-laevo-mercapto-para-menthan-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (sid): | 135323547 |
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 |
| HMDB (The Human Metabolome Database): | HMDB32205 |
| FooDB: | FDB009186 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FL |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| (Z+E)- | mercapto-p-menthan-3-one |
| cis- and trans- | mercapto-p-menthan-3-one |
| cis- and trans-L- | mercapto-p-menthan-3-one |
| mercapto-p-menthan-3-one, cis- and trans- | |
| 1- | mercapto-p-menthane-3-one |
| cis+trans- | mercapto-para-menthan-3-one |