| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 3623-52-7 |
| ECHA EC Number: | 222-825-7 |
| FDA UNII: | 90E7IB31QH |
| Category: | flavoring agents |
| IUPAC Name: | isomenthol |
| InChI : | InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1 |
| Std.InChI: | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1 |
| InChIKey : | NOOLISFMXDJSKH-OPRDCNLKBQ |
| Std.InChIKey: | NOOLISFMXDJSKH-OPRDCNLKSA-N |
| SMILES : | C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C |
| MDL: | MFCD01941448 |
| Molar Refractivity : | 47.83 ± 0.3 cm3 (est) |
| Parachor : | 409.8 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.457 ± 0.02 (est) |
| Surface Tension : | 29.7 ± 3.0 dyne/cm (est) |
| Density : | 0.890 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.96 ± 0.5 10-24cm3 (est) |
| 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: | 2249 DL-isomenthol |
| FEMA Number: | 4729 DL-isomenthol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 215.00 to 216.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.032000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 200.00 °F. TCC ( 93.30 °C. ) (est) |
| logP (o/w): | 3.216 (est) |
| Soluble in: | |
| alcohol | |
| water, 434.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| paraffin oil | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| DL-isoMenthol |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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-mouse LD50 3000 mg/kg Quarterly Journal of Pharmacy & Pharmacology. Vol. 5, Pg. 233, 1932. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for isomenthol usage levels up to: | |||
| not for fragrance use. | |||
| 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: 26 | |||
| Click here to view publication 26 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 30.00000 | 130.00000 | |
| beverages(nonalcoholic): | 10.00000 | 35.00000 | |
| beverages(alcoholic): | 10.00000 | 35.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 500.00000 | 1100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 20.00000 | 68.00000 | |
| fruit ices: | 20.00000 | 68.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 100.00000 | 400.00000 | |
| 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: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3623-52-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :19244 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Chemidplus:0003623527 |
| (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3623-52-7 |
| Pubchem (cid): | 19244 |
| Pubchem (sid): | 134984255 |
| (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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB021835 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •some synthetic menthols are not chemical individuals but...mixtures of various isomers...these are designated...l-menthol, dl-menthol, l-isomenthol, d-isomenthol, dl-isomenthol, l-neomenthol, d-neomenthol, l-neoisomenthol, d-neoisomenthol and dl-neoisomenthol.•when mixed with about equal wt of camphor, chloral hydrate, phenol, or thymol, menthol forms "eutectic" mixt liquifying @ room temp.•menthol, usp drug marketed under generic name.•grades: technical; usp; fcc•synthetic menthol is available as the optically active levo-menthol with a purity of 99.9%. synthetic menthol is also commercially available as the racemic mixture•present in cigarettes and pipe tobacco (0.1-0.45%) shaving creams, pre- and aftershave lotions (0.2-0.3%); toothpastes (0.5%); mouthwashes (1-2%); chewing gums (0.5%); cough drops (0.1%); refreshing towels (1%); rubbing alcohol (1-1.2%); and shampoos (2-0.5%)•mentholatum deep heating rub contains 5.9% menthol; mentholatum ointment, 1.35%; mentholatum deep heating lotion, 6% | |
| None Found |
| cabbage leaf Search Trop Picture | |
| cornmint oil Search Trop Picture | |
| cornmint oil india @ 0.05% Data GC Search Trop Picture | |
| geranium oil rwanda @ 0.29% Data GC Search Trop Picture | |
| horsemint shoot Search Trop Picture | |
| pennyroyal oil @ trace% Data GC Search Trop Picture | |
| pennyroyal oil cuba @ 0.30% Data GC Search Trop Picture | |
| peppermint leaf Search Trop Picture | |
| peppermint oil CO2 extract @ 0.20% Data GC Search Trop Picture | |
| stachys obliqua Search Trop Picture | |
| sunflower flower Search Trop Picture |
| cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)- | |
| (±)-iso | menthol |
| (1)-iso | menthol |
| cis-1,3-cis-1,4-(±)- | menthol |
| DL-iso | menthol |
| (1-alpha,2-beta,5-beta)-(±)-5- | methyl-2-(1-methyl ethyl) cyclohexanol |
| (1R,2S,5S)-rel-5- | methyl-2-(1-methyl ethyl) cyclohexanol |
| (1a,2a,5a)-5- | methyl-2-(1-methylethyl)cyclohexanol |
| (1R,2R,5R)-5- | methyl-2-(propan-2-yl)cyclohexanol |
| (1R,2R,5R)-5- | methyl-2-propan-2-ylcyclohexan-1-ol |
| (1R,2R,5R)-2-iso | propyl-5-methylcyclohexanol |
