(Z+E)-mercapto-para-menthan-3-one
cis- and trans-L-mercapto-p-menthan-3-one
Identification
| Name | (Z+E)-mercapto-para-menthan-3-one |
| IUPAC | (Z+E)-laevo-mercapto-para-menthan-3-one |
| CAS Number | 29725-66-4 |
| FDA UNII | A451PTS4VT |
| Molecular Formula | C10 H18 O S |
| Molecular Weight | 186.31766000 |
Regulatory
| 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 |
| 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, 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 |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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 |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | 0.01000 |
| chewing gum | - |
| condiments / relishes | 0.01000 |
| confectionery froastings | 1.00000 |
| egg products | - |
| fats / oils | 0.01000 |
| fish products | 0.01000 |
| frozen dairy | 0.01000 |
| fruit ices | 0.10000 |
| gelatins / puddings | 0.01000 |
| granulated sugar | - |
| gravies | 0.01000 |
| hard candy | - |
| imitation dairy | 0.01000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.01000 |
| milk products | 0.01000 |
| nut products | - |
| other grains | - |
| poultry | 0.01000 |
| processed fruits | 0.01000 |
| processed vegetables | 0.01000 |
| reconstituted vegetables | - |
| seasonings / flavors | 0.01000 |
| snack foods | - |
| soft candy | - |
| soups | 0.01000 |
| sugar substitutes | - |
| sweet sauces | 0.01000 |
| Dairy products, excluding products of category 02.0 (01.0) | 0.00100 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 0.02000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.01000 |
| Confectionery (05.0) | 0.02000 |
| Chewing gum (05.3) | 0.02000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.00100 |
| Bakery wares (07.0) | 0.00100 |
| Meat and meat products, including poultry and game (08.0) | 0.02000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.00100 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.02000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.01000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.01000 |
| 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) | - |
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Endeavour Specialty Chemicals Ltd
Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Robinson Brothers Limited
Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
Potential Uses
Natural Occurrence
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
PubMed:
Odor similarity between stress-inducing odorants in wistar rats.