| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 89-80-5 |
| ECHA EC Number: | 201-941-1 |
| FDA UNII: | 9NH5J4V8FN |
| CoE Number: | 2035 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (±)-menthone |
| InChI : | InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3 |
| Std.InChI: | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3 |
| InChIKey : | NFLGAXVYCFJBMK-UHFFFAOYAZ |
| Std.InChIKey: | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
| SMILES : | CC1CCC(C(=O)C1)C(C)C |
| Molar Refractivity : | 46.37 ± 0.3 cm3 (est) |
| Parachor : | 400.0 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.442 ± 0.02 (est) |
| Surface Tension : | 27.2 ± 3.0 dyne/cm (est) |
| Density : | 0.881 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.38 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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 |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 429 menthone |
| DG SANTE Food Flavourings: | 07.176 menthone |
| FEMA Number: | 2667 menthone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 89-80-5 ; MENTHONE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89500 to 0.90100 @ 15.00 °C. |
| Pounds per Gallon - (est).: | 7.463 to 7.513 |
| Boiling Point: | 209.00 to 210.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 118.00 to 119.00 °C. @ 50.00 mm Hg |
| Vapor Pressure: | 0.256000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w): | 2.755 (est) |
| Soluble in: | |
| alcohol | |
| water, 180.5 mg/L @ 25 °C (est) | |
| water, 688 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data2 |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |
| oral-rat LD50 [sex: M,F] 1600-1950 mg/kg (Igimi & Ide, 1974; Levenstein, 1973c) intravenous-dog LDLo 600 mg/kg VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTIONCARDIAC: CHANGE IN RATE Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953. oral-rat LD50 500 mg/kg French Demande Patent Document. Vol. #2448856 | |
| Dermal Toxicity: | |
| subcutaneous-mouse LD50 2180 mg/kg French Demande Patent Document. Vol. #2448856 subcutaneous-mouse LD50 2180 mg/kg BEHAVIORAL: ANTICONVULSANTBEHAVIORAL: SLEEP Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 (±)-menthone usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 890.00 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 52.00000 | |
| beverages(nonalcoholic): | - | 7.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 8.70000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 33.00000 | |
| fruit ices: | - | 33.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 71.00000 | |
| 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: | - | - | |
| 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 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
| Safety and efficacy of secondary alicyclic saturated and unsaturated alcohols, ketones, ketals and esters with ketals containing alicyclic alcohols or ketones and esters containing secondary alicyclic alcohols from chemical group 8 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):89-80-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6986 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 5-methyl-2-propan-2-ylcyclohexan-1-one |
| Chemidplus:0000089805 |
| 5-methyl-2-propan-2-ylcyclohexan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 89-80-5 |
| Pubchem (cid): | 6986 |
| Pubchem (sid): | 134972993 |
| Flavornet: | 89-80-5 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB009778 |
| YMDB (Yeast Metabolome Database): | YMDB01741 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: •assay: 98% dl-form; 95% optically active form•note: apinol obtained by dry distillation of wood of pinus palustris mill (p australis michx), pinaceae is chiefly l-menthoneamber-colored oil, bp about 182.2 deg c, density 0.946. apinol | |
| None Found |
| agathosma crenulata oil @ 2.91% Data GC Search Trop Picture | |
| angelica root oil @ 0.08% Data GC Search Trop Picture | |
| basil oil Search Trop Picture | |
| basil plant Search Trop Picture | |
| bergamot mint oil @ 0.0-0.4% Data GC Search Trop Picture | |
| buchu leaf oil @ 9.82% Data GC Search Trop Picture | |
| calamintha nepeta (l.) savi subsp. glandulosa oil greece @ 32.00% Data GC Search Trop Picture | |
| cardamom seed oil Search Trop Picture | |
| celery seed oil Search Trop Picture | |
| coriander seed oil CO2 extract @ 1.00% Data GC Search Trop Picture | |
| cornmint oil india @ 8.30% Data GC Search Trop Picture | |
| cornmint plant Search Trop Picture | |
| eucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.30% Data GC Search Trop Picture | |
| fennel seed oil sweet @ trace% Data GC Search Trop Picture | |
| geranium leaf oil india @ 0.54% Data GC Search Trop Picture | |
| geranium oil africa @ 0.88% Data GC Search Trop Picture | |
| geranium oil bourbon @ 0.13% Data GC Search Trop Picture | |
| geranium oil bourbon @ 1.50% Data GC Search Trop Picture | |
| geranium oil china @ 1.41% Data GC Search Trop Picture | |
| geranium oil egypt @ 1.31% Data GC Search Trop Picture | |
| geranium oil moroccan @ 0.78% Data GC Search Trop Picture | |
| geranium oil rwanda @ 0.23% Data GC Search Trop Picture | |
| geranium petiole oil india @ 1.27% Data GC Search Trop Picture | |
| geranium stem oil india @ 1.32% Data GC Search Trop Picture | |
| horsemint shoot Search Trop Picture | |
| lemongrass oil morocco @ 0.20% Data GC Search Trop Picture | |
| melissa oil slovak republic @ 0.60% Data GC Search Trop Picture | |
| pennyroyal oil @ 2.30% Data GC Search Trop Picture | |
| pennyroyal oil cuba @ 6.29% Data GC Search Trop Picture | |
| pennyroyal oil spain @ 15.6% Data GC Search Trop Picture | |
| pennyroyal oil uruguay @ 4.20-5.60% Data GC Search Trop Picture | |
| peppermint leaf Search Trop Picture | |
| peppermint oil america @ 23.14% Data GC Search Trop Picture | |
| peppermint oil CO2 extract @ 36.10% Data GC Search Trop Picture | |
| peppermint oil mongolia @ 32.22% Data GC Search Trop Picture | |
| peppermint oil russia @ 16.77% Data GC Search Trop Picture | |
| peppermint plant Search Trop Picture | |
| petitgrain combava oil @ trace% Data GC Search Picture | |
| sage oil cuba @ 0.11% Data GC Search Trop Picture | |
| salvia officinalis oil cuba @ 0.11% Data GC Search Trop Picture | |
| spearmint leaf Search Trop Picture | |
| spearmint oil Search Trop Picture | |
| spearmint oil america @ 0.08-0.26% Data GC Search Trop Picture | |
| tarragon oil Search Trop Picture | |
| thyme plant Search Trop Picture | |
| water mint leaf Search Trop Picture | |
| water mint shoot Search Trop Picture |
| p- | menthan-3-one racemic |
| para- | menthan-3-one racemic |
| p- | menthane-3-one racemic |
| para- | menthane-3-one racemic |
| menthone | |
| (±)- | menthone |
| dextro,laevo- | menthone |
| DL- | menthone |
| neo | menthone |
| p- | menthone |
| para- | menthone |
| menthone / isomenthone 70:30 | |
| menthone / isomenthone 80:20 | |
| menthone 70/30 | |
| menthone 80:20 | |
| menthone 80/20 | |
| menthone 90:10 | |
| menthone 95:5 | |
| menthone FCC | |
| menthone pure | |
| menthone, racemic | |
| 5- | methyl-2-(1-methyl ethyl) cyclohexanone racemic |
| 5- | methyl-2-(1-methylethyl)cyclohexanone racemic |
| 5- | methyl-2-propan-2-ylcyclohexan-1-one racemic |
| 2-iso | propyl-5-methyl cyclohexanone racemic |
